General Information of the Compound
| Compound ID |
CP0569457
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| Compound Name |
N-methyl-N-[(1R,3S)-3-[[5-methyl-3-(2-morpholin-4-ylethyl)imidazol-4-yl]carbamoyl]cyclohexyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C26H34F3N5O3
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| Molecular Weight |
521.584
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| Canonical SMILES |
CN([C@@H]1CCC[C@@H](C1)C(=O)Nc1c(C)ncn1CCN1CCOCC1)C(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H34F3N5O3/c1-18-23(34(17-30-18)10-9-33-11-13-37-14-12-33)31-24(35)19-5-4-8-22(16-19)32(2)25(36)20-6-3-7-21(15-20)26(27,28)29/h3,6-7,15,17,19,22H,4-5,8-14,16H2,1-2H3,(H,31,35)/t19-,22+/m0/s1
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| InChIKey |
WPPTZTPCEAXOIS-SIKLNZKXSA-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