General Information of the Compound
| Compound ID |
CP0561745
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| Compound Name |
(4R)-1-pyrrolidin-1-yl-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-one
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| Structure |
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| Formula |
C28H47NO4
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| Molecular Weight |
461.687
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| Canonical SMILES |
C[C@H](CCC(=O)N1CCCC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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| InChI |
InChI=1S/C28H47NO4/c1-17(6-9-25(33)29-12-4-5-13-29)20-7-8-21-26-22(16-24(32)28(20,21)3)27(2)11-10-19(30)14-18(27)15-23(26)31/h17-24,26,30-32H,4-16H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,26+,27+,28-/m1/s1
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| InChIKey |
CNFLPGMYCVAPPL-SREHDYERSA-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