General Information of the Compound
| Compound ID |
CP0477279
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| Compound Name |
4-nitrooxybutyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-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 |
C36H57NO7
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| Molecular Weight |
615.852
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(=O)OCCCCO[N+]([O-])=O)C1(C)C
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| InChI |
InChI=1S/C36H57NO7/c1-24(38)44-29-14-15-33(6)27(32(29,4)5)13-16-35(8)28(33)12-11-25-26-23-31(2,3)17-19-36(26,20-18-34(25,35)7)30(39)42-21-9-10-22-43-37(40)41/h11,26-29H,9-10,12-23H2,1-8H3/t26-,27-,28+,29-,33-,34+,35+,36-/m0/s1
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| InChIKey |
JUZFTHJFMWRHJB-QZUHWTNASA-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