General Information of the Compound
| Compound ID |
CP0578866
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| Compound Name |
(8R,9S,13S,14R,15R)-N-ethyl-13-methyl-3-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]-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 |
C28H40N2O3
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| Molecular Weight |
452.639
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| Canonical SMILES |
CCNC(=O)[C@@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CCc4cc(OCCN5CCC[C@@H]5C)ccc34)[C@H]12
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| InChI |
InChI=1S/C28H40N2O3/c1-4-29-27(32)24-17-25(31)28(3)12-11-22-21-10-8-20(16-19(21)7-9-23(22)26(24)28)33-15-14-30-13-5-6-18(30)2/h8,10,16,18,22-24,26H,4-7,9,11-15,17H2,1-3H3,(H,29,32)/t18-,22+,23+,24+,26+,28+/m0/s1
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| InChIKey |
UZLPYNNAGQTNCS-ZHFJTULBSA-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