General Information of the Compound
| Compound ID |
CP0402980
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| Compound Name |
4-nitrooxybutyl (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
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| Structure |
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| Formula |
C34H55NO7
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| Molecular Weight |
589.814
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| Canonical SMILES |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCCCO[N+]([O-])=O
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| InChI |
InChI=1S/C34H55NO7/c1-29(2)15-17-34(28(38)41-19-7-8-20-42-35(39)40)18-16-32(5)23(24(34)21-29)9-10-26-30(3)13-12-27(37)31(4,22-36)25(30)11-14-33(26,32)6/h9,24-27,36-37H,7-8,10-22H2,1-6H3/t24-,25+,26+,27-,30-,31-,32+,33+,34-/m0/s1
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| InChIKey |
LNAWOBZZQOBUHP-WZMLTRNISA-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