General Information of the Compound
| Compound ID |
CP0467947
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| Compound Name |
ethyl (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 |
C33H54N4O2
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| Molecular Weight |
538.821
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| Canonical SMILES |
CCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC\C(=N/NC(N)=N)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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| InChI |
InChI=1S/C33H54N4O2/c1-9-39-27(38)33-17-12-20(2)21(3)26(33)22-10-11-24-30(6)15-14-25(36-37-28(34)35)29(4,5)23(30)13-16-32(24,8)31(22,7)18-19-33/h10,20-21,23-24,26H,9,11-19H2,1-8H3,(H4,34,35,37)/b36-25+/t20-,21+,23+,24-,26+,30+,31-,32-,33+/m1/s1
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| InChIKey |
MYIMMYVQRNPKJX-ZGNCYSQOSA-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