General Information of the Compound
| Compound ID |
CP0275048
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| Compound Name |
(4S,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,4S,5R)-3,5-dihydroxy-4-methyl-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylidene-4-(2-methylpropyl)oxolan-2-one
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| Structure |
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| Formula |
C32H48O4
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| Molecular Weight |
496.732
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| Canonical SMILES |
CC(C)C[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C
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| InChI |
InChI=1S/C32H48O4/c1-18(2)15-25-21(5)31(35)36-29(25)16-19(3)26-12-13-27-23(9-8-14-32(26,27)7)10-11-24-17-28(33)22(6)30(34)20(24)4/h10-11,18-19,22,25-30,33-34H,4-5,8-9,12-17H2,1-3,6-7H3/b23-10+,24-11-/t19-,22+,25+,26-,27+,28-,29+,30-,32-/m1/s1
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| InChIKey |
PWDFUTZVBZEMCB-YXBKHNFUSA-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