General Information of the Compound
| Compound ID |
CP0837271
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| Compound Name |
(1R,2S,3S)-2-benzyl-5-(2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-4-methylcyclohex-4-ene-1,3-diol
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| Structure |
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| Formula |
C34H50O3
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| Molecular Weight |
506.771
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| Canonical SMILES |
CC1=C(/C=C\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@H](Cc2ccccc2)[C@@H]1O
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| InChI |
InChI=1S/C34H50O3/c1-23(11-9-19-33(3,4)37)29-17-18-30-26(14-10-20-34(29,30)5)15-16-27-22-31(35)28(32(36)24(27)2)21-25-12-7-6-8-13-25/h6-8,12-16,23,28-32,35-37H,9-11,17-22H2,1-5H3/b16-15-/t23-,28+,29-,30-,31-,32-,34-/m1/s1
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| InChIKey |
UVVMFGMGCPCMEZ-YNBFBCMKSA-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