General Information of the Compound
| Compound ID |
CP0856611
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| Compound Name |
N-((3S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)isobutyramide
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| Structure |
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| Formula |
C28H40N2O
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| Molecular Weight |
420.641
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| Canonical SMILES |
CC(C)C(=O)N[C@H]1CC[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1
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| InChI |
InChI=1S/C28H40N2O/c1-18(2)26(31)30-21-11-13-27(3)20(16-21)7-8-22-24-10-9-23(19-6-5-15-29-17-19)28(24,4)14-12-25(22)27/h5-6,9,15,17-18,20-22,24-25H,7-8,10-14,16H2,1-4H3,(H,30,31)/t20?,21-,22-,24-,25-,27-,28+/m0/s1
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| InChIKey |
YRFIBCQGWPFBMW-RBYQFOCYSA-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