General Information of the Compound
| Compound ID |
CP0455922
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| Compound Name |
N-{4-[(1-carbamoylcyclopropyl)methyl]cyclohexyl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
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| Formula |
C24H31F3N2O3
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| Molecular Weight |
452.517
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC2(CC2)C(N)=O)CC1)C(F)(F)F
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| InChI |
InChI=1S/C24H31F3N2O3/c1-22(32,24(25,26)27)17-6-4-16(5-7-17)20(30)29(19-10-11-19)18-8-2-15(3-9-18)14-23(12-13-23)21(28)31/h4-7,15,18-19,32H,2-3,8-14H2,1H3,(H2,28,31)/t15-,18-,22-/m0/s1
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| InChIKey |
TXSGIOUUDTVDCZ-VPKVUBIPSA-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