General Information of the Compound
| Compound ID |
CP0469447
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| Compound Name |
(2,4-dichlorophenyl)methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10E,12aR,14bS)-10-(diaminomethylidenehydrazinylidene)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylate
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| Structure |
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| Formula |
C38H54Cl2N4O2
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| Molecular Weight |
669.782
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC\C(=N/NC(N)=N)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C38H54Cl2N4O2/c1-22-12-17-38(32(45)46-21-24-8-9-25(39)20-27(24)40)19-18-36(6)26(31(38)23(22)2)10-11-29-35(5)15-14-30(43-44-33(41)42)34(3,4)28(35)13-16-37(29,36)7/h8-10,20,22-23,28-29,31H,11-19,21H2,1-7H3,(H4,41,42,44)/b43-30+/t22-,23+,28+,29-,31+,35+,36-,37-,38+/m1/s1
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| InChIKey |
XGZUZAYYMRTFDE-YRNAVUCMSA-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