General Information of the Compound
| Compound ID |
CP0432845
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| Compound Name |
2-[(3,5-dichlorophenyl)methyl]-7-[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
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| Structure |
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| Formula |
C37H53Cl2N3O4
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| Molecular Weight |
674.754
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| Canonical SMILES |
C[C@H](CCC(=O)N1CCN2C(CN(Cc3cc(Cl)cc(Cl)c3)C2=O)C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C37H53Cl2N3O4/c1-22(29-5-6-30-34-31(9-11-37(29,30)3)36(2)10-8-28(43)16-24(36)17-32(34)44)4-7-33(45)40-12-13-42-27(20-40)21-41(35(42)46)19-23-14-25(38)18-26(39)15-23/h14-15,18,22,24,27-32,34,43-44H,4-13,16-17,19-21H2,1-3H3/t22-,24+,27?,28-,29-,30+,31+,32+,34+,36+,37-/m1/s1
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| InChIKey |
HGHLXZNSGMBLPF-ODONGICUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound