General Information of the Compound
| Compound ID |
CP0146365
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| Compound Name |
N-[(2S,3R)-4-[[1-(4-tert-butylpyridin-2-yl)cyclopropyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C24H31F2N3O2
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| Molecular Weight |
431.527
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C
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| InChI |
InChI=1S/C24H31F2N3O2/c1-15(30)29-20(11-16-9-18(25)13-19(26)10-16)21(31)14-28-24(6-7-24)22-12-17(5-8-27-22)23(2,3)4/h5,8-10,12-13,20-21,28,31H,6-7,11,14H2,1-4H3,(H,29,30)/t20-,21+/m0/s1
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| InChIKey |
VMNLOHRLVJTMIX-LEWJYISDSA-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