General Information of the Compound
| Compound ID |
CP0155253
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| Compound Name |
(3S,5S)-5-[(2R)-2-[(1R,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyl-1-propan-2-ylpyrrolidin-2-one
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| Structure |
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| Formula |
C30H47NO4
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| Molecular Weight |
485.709
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| Canonical SMILES |
CC(C)N1[C@@H](C[C@@H](C)[C@H]2CCC3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)C[C@](C)(O)C1=O
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| InChI |
InChI=1S/C30H47NO4/c1-18(2)31-23(17-30(6,35)28(31)34)14-19(3)25-11-12-26-21(8-7-13-29(25,26)5)9-10-22-15-24(32)16-27(33)20(22)4/h9-10,18-19,23-27,32-33,35H,4,7-8,11-17H2,1-3,5-6H3/b21-9+,22-10-/t19-,23+,24-,25-,26?,27+,29-,30+/m1/s1
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| InChIKey |
FJFWCDMEWCQQSI-VRLANRMWSA-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