General Information of the Compound
| Compound ID |
CP0460175
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| Compound Name |
(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-N-(1-phenylethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxamide
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| Structure |
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| Formula |
C27H33NO3
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| Molecular Weight |
419.565
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| Canonical SMILES |
CC(NC(=O)C1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O)c1ccccc1
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| InChI |
InChI=1S/C27H33NO3/c1-16(17-6-4-3-5-7-17)28-26(31)23-15-24-22-10-8-18-14-19(29)9-11-20(18)21(22)12-13-27(24,2)25(23)30/h3-7,9,11,14,16,21-25,29-30H,8,10,12-13,15H2,1-2H3,(H,28,31)/t16?,21-,22-,23?,24+,25+,27+/m1/s1
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| InChIKey |
NLFQZGZNWSXJNG-JJXBFBDMSA-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