General Information of the Compound
| Compound ID |
CP0563405
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| Compound Name |
(8R,9S,13S,14R,15R)-N-ethyl-13-methyl-3-[4-[(2S)-2-methylpyrrolidin-1-yl]butoxy]-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 |
C30H44N2O3
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| Molecular Weight |
480.693
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| Canonical SMILES |
CCNC(=O)[C@@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CCc4cc(OCCCCN5CCC[C@@H]5C)ccc34)[C@H]12
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| InChI |
InChI=1S/C30H44N2O3/c1-4-31-29(34)26-19-27(33)30(3)14-13-24-23-12-10-22(18-21(23)9-11-25(24)28(26)30)35-17-6-5-15-32-16-7-8-20(32)2/h10,12,18,20,24-26,28H,4-9,11,13-17,19H2,1-3H3,(H,31,34)/t20-,24+,25+,26+,28+,30+/m0/s1
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| InChIKey |
UAUZZLVVLJGGQE-XXCSIDCRSA-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