General Information of the Compound
| Compound ID |
CP0927932
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| Compound Name |
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E)-4-[benzene(imino)sulfinyl]but-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
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| Formula |
C29H39NO3S
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| Molecular Weight |
481.702
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| Canonical SMILES |
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)/C=C/[S+](=N)([O-])c4ccccc4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
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| InChI |
InChI=1S/C29H39NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,15,17,20,24,26-28,31-32H,2,7-8,13-14,16,18-19H2,1,3H3,(H-,30,33)/b17-15+,22-11+,23-12-/t20-,24+,26+,27-,28-,29+,34?/m0/s1
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| InChIKey |
GAWFWAXYZIQGPO-BTLDQCEFSA-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