General Information of the Compound
| Compound ID |
CP0507805
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| Compound Name |
(8S,13S,14S,17S)-17-hydroxy-13-methyl-N-(2-methylpyridin-3-yl)-17-prop-1-ynyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3-carboxamide
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| Structure |
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| Formula |
C28H30N2O2
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| Molecular Weight |
426.56
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(ccc4C3=CC[C@]12C)C(=O)Nc1cccnc1C
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| InChI |
InChI=1S/C28H30N2O2/c1-4-13-28(32)15-12-24-23-10-7-19-17-20(26(31)30-25-6-5-16-29-18(25)2)8-9-21(19)22(23)11-14-27(24,28)3/h5-6,8-9,11,16-17,23-24,32H,7,10,12,14-15H2,1-3H3,(H,30,31)/t23-,24+,27+,28+/m1/s1
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| InChIKey |
QZJGYVBMHZKQSK-JGPKDBRGSA-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