General Information of the Compound
| Compound ID |
CP0542385
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| Compound Name |
(3S)-3-[(2R)-2-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-1-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C27H43NO2
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| Molecular Weight |
413.646
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| Canonical SMILES |
C[C@H](C[C@H]1CCN(C)C1=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C27H43NO2/c1-17(15-18-11-14-28(4)25(18)30)22-7-8-23-21-6-5-19-16-20(29)9-12-26(19,2)24(21)10-13-27(22,23)3/h5,17-18,20-24,29H,6-16H2,1-4H3/t17-,18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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| InChIKey |
DKYFGEOHRZFPOU-KQOPCUSDSA-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