General Information of the Compound
| Compound ID |
CP0492241
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| Compound Name |
(R)-4-((3S,10R)-3-Hydroxy-10-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-pentanoic acid bicyclo[3.2.1]oct-3-en-6-yl ester
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| Structure |
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| Formula |
C31H46O3
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| Molecular Weight |
466.706
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| Canonical SMILES |
CC(CCC(=O)OC1CC2CC1C=CC2)[C@H]1CCC2C1CCC1C2CC=C2C[C@@H](O)CC[C@]12C
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| InChI |
InChI=1S/C31H46O3/c1-19(6-13-30(33)34-29-17-20-4-3-5-21(29)16-20)24-9-10-26-25(24)11-12-28-27(26)8-7-22-18-23(32)14-15-31(22,28)2/h3,5,7,19-21,23-29,32H,4,6,8-18H2,1-2H3/t19?,20?,21?,23-,24+,25?,26?,27?,28?,29?,31-/m0/s1
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| InChIKey |
FHGJIDSWVTVJOT-FEPWSWQJSA-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