General Information of the Compound
| Compound ID |
CP0306334
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-[5-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C24H32F2N2O2S
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| Molecular Weight |
450.595
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ccc(CC(C)(C)C)s1
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| InChI |
InChI=1S/C24H32F2N2O2S/c1-15(29)28-20(11-16-9-17(25)12-18(26)10-16)21(30)14-27-24(7-8-24)22-6-5-19(31-22)13-23(2,3)4/h5-6,9-10,12,20-21,27,30H,7-8,11,13-14H2,1-4H3,(H,28,29)/t20-,21+/m0/s1
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| InChIKey |
CZKXEGXIEYHWJE-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