小分子和化合物库

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显示第112个,产品总数195

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  1. 芹菜素
    CAS号 : 520-36-5        Compound CID : 5280443
    分子式: C15H10O5        分子量: 270.24
    IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
    InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
  2. 柚皮素
    CAS号 : 480-41-1        Compound CID : 439246
    分子式: C15H12O5        分子量: 272.25
    IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
    SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
    InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N
    InChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
  3. PKI-402
      规格或纯度 :
    • ≥98%
    CAS号 : 1173204-81-3        Compound CID : 44187953
    分子式: C29H34N10O3        分子量: 570.65
    IUPAC Name: 1-[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
    SMILES: CCN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)C)N6CCOCC6)N=N1
    InChIKey: ZAXFYGBKZSQBIV-UHFFFAOYSA-N
    InChI: InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
  4. WYE-125132(WYE-132),ATP竞争性mTOR抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 1144068-46-1        Compound CID : 25260757
    分子式: C27H33N7O4        分子量: 519.61
    IUPAC Name: 1-[4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
    SMILES: CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7
    InChIKey: QLHHRYZMBGPBJG-UHFFFAOYSA-N
    InChI: InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)
  5. WAY-600
      规格或纯度 :
    • ≥98%
    CAS号 : 1062159-35-6        Compound CID : 25229526
    分子式: C28H30N8O        分子量: 494.59
    IUPAC Name: 4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
    SMILES: C1CN(CCC1N2C3=C(C=N2)C(=NC(=N3)C4=CC5=C(C=C4)NC=C5)N6CCOCC6)CC7=CN=CC=C7
    InChIKey: FPEIJQLXFHKLJV-UHFFFAOYSA-N
    InChI: InChI=1S/C28H30N8O/c1-2-20(17-29-8-1)19-34-10-6-23(7-11-34)36-28-24(18-31-36)27(35-12-14-37-15-13-35)32-26(33-28)22-3-4-25-21(16-22)5-9-30-25/h1-5,8-9,16-18,23,30H,6-7,10-15,19H2
  6. WYE-687,mTOR抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 1062161-90-3        Compound CID : 25229450
    分子式: C28H32N8O3        分子量: 528.61
    IUPAC Name: methyl N-[4-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]carbamate
    SMILES: COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)CC5=CN=CC=C5)C(=N2)N6CCOCC6
    InChIKey: VDOCQQKGPJENHJ-UHFFFAOYSA-N
    InChI: InChI=1S/C28H32N8O3/c1-38-28(37)31-22-6-4-21(5-7-22)25-32-26(35-13-15-39-16-14-35)24-18-30-36(27(24)33-25)23-8-11-34(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H,31,37)
  7. ETP-46464,mTOR 和 ATR 抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 1345675-02-6        Compound CID : 72199292
    分子式: C30H22N4O2        分子量: 470.52
    IUPAC Name: 2-methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile
    SMILES: CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3COC2=O)C5=CC6=CC=CC=C6N=C5
    InChIKey: DPLMXAYKJZOTKO-UHFFFAOYSA-N
    InChI: InChI=1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3
  8. GDC-0349
      规格或纯度 :
    • ≥99%
    CAS号 : 1207360-89-1        Compound CID : 59239165
    分子式: C24H32N6O3        分子量: 452.55
    IUPAC Name: 1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
    SMILES: CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4COC4)C(=N2)N5CCOCC5C
    InChIKey: RGJOJUGRHPQXGF-INIZCTEOSA-N
    InChI: InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1
  9. 甘草素
    CAS号 : 578-86-9        Compound CID : 114829
    分子式: C15H12O4        分子量: 256.25
    IUPAC Name: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
    SMILES: Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2
    InChIKey: FURUXTVZLHCCNA-AWEZNQCLSA-N
    InChI: InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
  10. 7-羟基黄酮
      规格或纯度 :
    • ≥97%(T)
    CAS号 : 6665-86-7        Compound CID : 5281894
    分子式: C15H10O3        分子量: 238.24
    IUPAC Name: 7-hydroxy-2-phenylchromen-4-one
    SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O
    InChIKey: MQGPSCMMNJKMHQ-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
  11. 柚皮素
      规格或纯度 :
    • ≥97%
    CAS号 : 480-41-1        Compound CID : 439246
    分子式: C15H12O5        分子量: 272.25
    IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
    SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
    InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N
    InChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
  12. 乔松素
    CAS号 : 480-39-7       
    分子式: C15H12O4        分子量: 256.25
    IUPAC Name: (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
    SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
    InChIKey: URFCJEUYXNAHFI-ZDUSSCGKSA-N
    InChI: InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
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