General Information of the Compound
| Compound ID |
CP0060078
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| Compound Name |
(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methylpyridin-3-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide
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| Structure |
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| Formula |
C25H30N2O3
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| Molecular Weight |
406.526
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc3[C@H]4[C@@H](O)C[C@]5(C)[C@@H](O)CC[C@H]5[C@@H]4CCc3c2)cn1
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| InChI |
InChI=1S/C25H30N2O3/c1-14-3-6-17(13-26-14)27-24(30)16-5-7-18-15(11-16)4-8-19-20-9-10-22(29)25(20,2)12-21(28)23(18)19/h3,5-7,11,13,19-23,28-29H,4,8-10,12H2,1-2H3,(H,27,30)/t19-,20-,21-,22-,23+,25-/m0/s1
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| InChIKey |
XHOQUWOASSCOOG-FIIJTSBOSA-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