General Information of the Compound
| Compound ID |
CP0567244
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| Compound Name |
(8R,9S,13S,14R,15R)-N,N-diethyl-13-methyl-3-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-15-carboxamide
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| Structure |
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| Formula |
C31H46N2O3
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| Molecular Weight |
494.72
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| Canonical SMILES |
CCN(CC)C(=O)[C@@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CCc4cc(OCCCN5CCC[C@@H]5C)ccc34)[C@H]12
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| InChI |
InChI=1S/C31H46N2O3/c1-5-32(6-2)30(35)27-20-28(34)31(4)15-14-25-24-13-11-23(19-22(24)10-12-26(25)29(27)31)36-18-8-17-33-16-7-9-21(33)3/h11,13,19,21,25-27,29H,5-10,12,14-18,20H2,1-4H3/t21-,25+,26+,27+,29+,31+/m0/s1
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| InChIKey |
ZWNBAQYMPSHKIF-KKZGWGMXSA-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