General Information of the Compound
| Compound ID |
CP0197925
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| Compound Name |
(2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
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| Structure |
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| Formula |
C28H38F3N5O2
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| Molecular Weight |
533.639
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| Canonical SMILES |
COc1nc(C)c(C(=O)N2CCC(C)(CC2)N2CCN([C@@H](C)c3ccc(cc3)C(F)(F)F)[C@@H](C)C2)c(C)n1
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| InChI |
InChI=1S/C28H38F3N5O2/c1-18-17-35(15-16-36(18)21(4)22-7-9-23(10-8-22)28(29,30)31)27(5)11-13-34(14-12-27)25(37)24-19(2)32-26(38-6)33-20(24)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1
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| InChIKey |
BUZVRSCZMYHLGQ-RXVVDRJESA-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