General Information of the Compound
| Compound ID |
CP0426072
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| Compound Name |
2-nitrooxyethyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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 |
C32H51NO6
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| Molecular Weight |
545.761
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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)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCO[N+]([O-])=O
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| InChI |
InChI=1S/C32H51NO6/c1-27(2)14-16-32(26(35)38-18-19-39-33(36)37)17-15-30(6)21(22(32)20-27)8-9-24-29(5)12-11-25(34)28(3,4)23(29)10-13-31(24,30)7/h8,22-25,34H,9-20H2,1-7H3/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1
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| InChIKey |
YZDWKDOVDHNQFC-DFHVBEEKSA-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