General Information of the Compound
| Compound ID |
CP0473776
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| Compound Name |
N-[(2S,3R)-4-[[1-[3-(2-cyanopropan-2-yl)phenyl]cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C28H35F2N3O2
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| Molecular Weight |
483.603
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C#N
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| InChI |
InChI=1S/C28H35F2N3O2/c1-19(34)33-25(14-20-12-23(29)16-24(30)13-20)26(35)17-32-28(10-5-4-6-11-28)22-9-7-8-21(15-22)27(2,3)18-31/h7-9,12-13,15-16,25-26,32,35H,4-6,10-11,14,17H2,1-3H3,(H,33,34)/t25-,26+/m0/s1
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| InChIKey |
HDLQUIILQOTKOY-IZZNHLLZSA-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