小分子和化合物库

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显示第112个,产品总数65

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  1. MK-3207
    CAS号 : 957118-49-9        Compound CID : 25019940
    分子式: C31H29F2N5O3        分子量: 557.59
    IUPAC Name: 2-[(8R)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
    SMILES: C1CCC2(C1)C(=O)N(C(CN2)C3=CC(=CC(=C3)F)F)CC(=O)NC4=CC5=C(CC6(C5)C7=C(NC6=O)N=CC=C7)C=C4
    InChIKey: AZAANWYREOQRFB-SETSBSEESA-N
    InChI: InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1
  2. (S)-AMPA
      规格或纯度 :
    • ≥98%
    CAS号 : 83643-88-3       
    分子式: C7H10N2O4        分子量: 186.17
    IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
    SMILES: CC1=C(C(=O)NO1)CC(C(=O)O)N
    InChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-N
    InChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
  3. Ampalex
    CAS号 : 154235-83-3        Compound CID : 148184
    分子式: C14H15N3O        分子量: 241.29
    IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanone
    SMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2
    InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-N
    InChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
  4. BMS-927711
    CAS号 : 1289023-67-1        Compound CID : 51049968
    分子式: C28H28F2N6O3        分子量: 534.56
    IUPAC Name: [(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
    SMILES: C1CC(C2=C(C=CC=N2)C(C1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6
    InChIKey: KRNAOFGYEFKHPB-ANJVHQHFSA-N
    InChI: InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1
  5. CX 546
    CAS号 : 215923-54-9(DMSO)        Compound CID : 2890
    分子式: C14H17NO3        分子量: 247.29
    IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
    SMILES: C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3
    InChIKey: LJUNPHMOGNFFOS-UHFFFAOYSA-N
    InChI: InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
  6. IDRA-21
    CAS号 : 22503-72-6(DMSO)        Compound CID : 3688
    分子式: C8H9ClN2O2S        分子量: 232.69
    IUPAC Name: 7-chloro-3-methyl-3,4-dihydro-2H-1位6,2,4-benzothiadiazine 1,1-dioxide
    SMILES: CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1
    InChIKey: VZRNTCHTJRLTMU-UHFFFAOYSA-N
    InChI: InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
  7. 环噻嗪
    CAS号 : 2259-96-3(DMSO)        Compound CID : 2910
    分子式: C14H16ClN3O4S2        分子量: 389.87
    IUPAC Name: 3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1位6,2,4-benzothiadiazine-7-sulfonamide
    SMILES: C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl
    InChIKey: BOCUKUHCLICSIY-UHFFFAOYSA-N
    InChI: InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
  8. 安帕莱克斯
    CAS号 : 154235-83-3        Compound CID : 148184
    分子式: C14H15N3O        分子量: 241.29
    IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanone
    SMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2
    InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-N
    InChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
  9. MK-0974
    CAS号 : 781649-09-0        Compound CID : 11319053
    分子式: C26H27F5N6O3        分子量: 566.54
    IUPAC Name: N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
    SMILES: C1CC(C(=O)N(CC1C2=C(C(=CC=C2)F)F)CC(F)(F)F)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5
    InChIKey: CGDZXLJGHVKVIE-DNVCBOLYSA-N
    InChI: InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
  10. Olcegepant,CGRP-1受体拮抗剂
    CAS号 : 204697-65-4        Compound CID : 6918509
    分子式: C38H47Br2N9O5        分子量: 869.66
    IUPAC Name: N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
    SMILES: C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6
    InChIKey: ITIXDWVDFFXNEG-JHOUSYSJSA-N
    InChI: InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
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