General Information of the Compound
| Compound ID |
CP0146367
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-[1-(2,2-dimethylpropyl)pyrazol-3-yl]cyclopropyl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C23H32F2N4O2
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| Molecular Weight |
434.531
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ccn(CC(C)(C)C)n1
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| InChI |
InChI=1S/C23H32F2N4O2/c1-15(30)27-19(11-16-9-17(24)12-18(25)10-16)20(31)13-26-23(6-7-23)21-5-8-29(28-21)14-22(2,3)4/h5,8-10,12,19-20,26,31H,6-7,11,13-14H2,1-4H3,(H,27,30)/t19-,20+/m0/s1
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| InChIKey |
QGQLMQKKRGXLTO-VQTJNVASSA-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