小分子和化合物库

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显示第112个,产品总数15

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  1. ML-SA1,TRPML激动剂
    CAS号 : 332382-54-4        Compound CID : 2880983
    分子式: C22H22N2O3        分子量: 362.42
    IUPAC Name: 2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dione
    SMILES: CC1CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)(C)C
    InChIKey: KDDHBJICVBONAX-UHFFFAOYSA-N
    InChI: InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3
  2. SN 2,TRPML3通道激活剂
    CAS号 : 823218-99-1        Compound CID : 11834987
    分子式: C17H21NO        分子量: 255.35
    IUPAC Name: 5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
    SMILES: CC1=CC(=C(C(=C1)C)C2=NOC3C2C4CCC3C4)C
    InChIKey: WKLZNTYMDOPBSE-UHFFFAOYSA-N
    InChI: InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3
  3. MK6-83,TRPML通道激活剂
    CAS号 : 1062271-24-2        Compound CID : 18191179
    分子式: C16H20N2O2S2        分子量: 336.47
    IUPAC Name: 5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
    SMILES: CC1=CC=C(S1)S(=O)(=O)NC2=CC=CC=C2N3CCCCC3
    InChIKey: IRGYSXZCDAWOOC-UHFFFAOYSA-N
    InChI: InChI=1S/C16H20N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h3-4,7-10,17H,2,5-6,11-12H2,1H3
  4. ML3-SA1
           Compound CID : 162679537
    IUPAC Name: 3-(2,4,6-trimethylphenyl)-3aH,4H,5H,6H,7aH-pyrano[3,2-d][1,2]oxazole
    SMILES: Cc1cc(C)c(C2=NOC3OCCCC23)c(C)c1
    InChIKey: PDQSLEUINSEJHR-UHFFFAOYSA-N
    InChI: InChI=1S/C15H19NO2/c1-9-7-10(2)13(11(3)8-9)14-12-5-4-6-17-15(12)18-16-14/h7-8,12,15H,4-6H2,1-3H3
  5. PRU-12
           Compound CID : 102373294
    IUPAC Name: 1-[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]ethanone
    SMILES: [C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(cc3)C(=O)C
    InChIKey: LURXOLBKAUTYIC-SLHNCBLASA-N
    InChI: InChI=1S/C20H26O2/c1-12(21)13-3-5-15-14(11-13)4-6-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h3,5,11,16-19,22H,4,6-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
  6. PRU-10
           Compound CID : 162679541
    IUPAC Name: (1S,3aS,3bR,9bS,11aS)-7-ethenyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol
    SMILES: [C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(C=C)cc3
    InChIKey: YVQVEUUGNXBURX-SLHNCBLASA-N
    InChI: InChI=1S/C20H26O/c1-3-13-4-6-15-14(12-13)5-7-17-16(15)10-11-20(2)18(17)8-9-19(20)21/h3-4,6,12,16-19,21H,1,5,7-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
  7. SN-1
           Compound CID : 135419200
    IUPAC Name: N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[5,4-e]pyrimidin-5-yl)-4-ethoxybenzenesulfonamide
    SMILES: CCOc1ccc(cc1c1nc(=O)c2c([nH]1)c(nn2C)C(C)(C)C)S(=O)(=O)NC(C)(C)C
    InChIKey: VMVZVLPMWCBOFI-UHFFFAOYSA-N
    InChI: InChI=1S/C22H31N5O4S/c1-9-31-15-11-10-13(32(29,30)26-22(5,6)7)12-14(15)19-23-16-17(20(28)24-19)27(8)25-18(16)21(2,3)4/h10-12,26H,9H2,1-8H3,(H,23,24,28)
  8. SN-2
           Compound CID : 11834987
    IUPAC Name: 5-mesityl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
    SMILES: Cc1cc(C)c(c(c1)C)C1=NOC2C1C1CCC2C1
    InChIKey: WKLZNTYMDOPBSE-UHFFFAOYSA-N
    InChI: InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3
  9. phosphatidyl (3,5) inositol bisphosphate
    CAS号 : 214282-36-7        Compound CID : 643961
    IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
    SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC1[C@H](O)[C@H](OP(=O)(O)O)C([C@@H]([C@H]1O)OP(=O)(O)O)O)O
    InChIKey: UZMPYXSDDZXMAI-OHKKONBVSA-N
    InChI: InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37-,38-,39-,40+,41?/m1/s1
  10. EVP-21
    CAS号 : 2742654-01-7        Compound CID : 165715979
    IUPAC Name: 3-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
    SMILES: CC1=CC(C)=C(C2=NOC3=C2CCCC3)C(C)=C1
    InChIKey: GRAUWLSWADZYAL-UHFFFAOYSA-N
    InChI: InChI=1S/C16H19NO/c1-10-8-11(2)15(12(3)9-10)16-13-6-4-5-7-14(13)18-17-16/h8-9H,4-7H2,1-3H3
  11. SF-11
           Compound CID : 2745583
    IUPAC Name: 3-(4-chlorophenyl)-5-methyl-4-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole
    SMILES: Cc1ccc(cc1)S(=O)(=O)n1nccc1c1c(C)onc1c1ccc(cc1)Cl
    InChIKey: WFFKVDICECGSHN-UHFFFAOYSA-N
    InChI: InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
  12. SF-21
           Compound CID : 2911646
    IUPAC Name: 4-chloro-N-(2-morpholin-4-ylcyclohexyl)benzenesulfonamide
    SMILES: Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1
    InChIKey: AYQCZQKMGKDZPS-UHFFFAOYSA-N
    InChI: InChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2
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