General Information of the Compound
| Compound ID |
CP0562332
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| Compound Name |
(8R,9S,13S,14R,15S)-3-[3-(4,4-difluoropiperidin-1-yl)propoxy]-N-ethyl-13-methyl-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 |
C29H40F2N2O3
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| Molecular Weight |
502.646
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| Canonical SMILES |
CCNC(=O)[C@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CCc4cc(OCCCN5CCC(F)(F)CC5)ccc34)[C@H]12
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| InChI |
InChI=1S/C29H40F2N2O3/c1-3-32-27(35)24-18-25(34)28(2)10-9-22-21-8-6-20(17-19(21)5-7-23(22)26(24)28)36-16-4-13-33-14-11-29(30,31)12-15-33/h6,8,17,22-24,26H,3-5,7,9-16,18H2,1-2H3,(H,32,35)/t22-,23-,24+,26-,28-/m1/s1
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| InChIKey |
CDHZSPFADLENEY-OLGJDEQHSA-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