General Information of the Compound
| Compound ID |
CP0067282
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| Compound Name |
N-[(2S,3R)-4-[[1-(4-tert-butyl-1,3-oxazol-2-yl)cyclopropyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C22H29F2N3O3
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| Molecular Weight |
421.488
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1nc(co1)C(C)(C)C
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| InChI |
InChI=1S/C22H29F2N3O3/c1-13(28)26-17(9-14-7-15(23)10-16(24)8-14)18(29)11-25-22(5-6-22)20-27-19(12-30-20)21(2,3)4/h7-8,10,12,17-18,25,29H,5-6,9,11H2,1-4H3,(H,26,28)/t17-,18+/m0/s1
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| InChIKey |
LHBBXWAJMYDMEG-ZWKOTPCHSA-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