General Information of the Compound
| Compound ID |
CP0568032
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| Compound Name |
1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)pyridin-2-yl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea
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| Formula |
C23H24F6N6O3
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| Molecular Weight |
546.472
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| Canonical SMILES |
CCN([C@@H](c1cc(c(OC)cn1)-c1cn2ccnc2c(OC)n1)C(F)(F)F)C(=O)NC1(CCC1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F6N6O3/c1-4-35(20(36)33-21(6-5-7-21)23(27,28)29)17(22(24,25)26)14-10-13(16(37-2)11-31-14)15-12-34-9-8-30-18(34)19(32-15)38-3/h8-12,17H,4-7H2,1-3H3,(H,33,36)/t17-/m0/s1
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| InChIKey |
GOHAKGBEAUBDLP-KRWDZBQOSA-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