General Information of the Compound
| Compound ID |
CP0569444
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| Compound Name |
(1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-N-(2H-tetrazol-5-yl)-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxamide
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| Structure |
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| Formula |
C31H47N5O2
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| Molecular Weight |
521.75
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)Nc1nnn[nH]1
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| InChI |
InChI=1S/C31H47N5O2/c1-18-10-15-31(25(38)32-26-33-35-36-34-26)17-16-29(6)20(24(31)19(18)2)8-9-22-28(5)13-12-23(37)27(3,4)21(28)11-14-30(22,29)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H2,32,33,34,35,36,38)/t18-,19+,21+,22-,24+,28+,29-,30-,31+/m1/s1
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| InChIKey |
RFRJXWDPMYPQDH-WYLNAQFUSA-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