General Information of the Compound
| Compound ID |
CP0542743
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| Compound Name |
3-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
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| Formula |
C26H30F5N5O2
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| Molecular Weight |
539.549
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| Canonical SMILES |
CCN([C@H](C)c1cccc(c1)-c1cn2ccnc2c(OC)n1)C(=O)N[C@@H](C1CCCC(F)(F)C1)C(F)(F)F
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| InChI |
InChI=1S/C26H30F5N5O2/c1-4-36(24(37)34-21(26(29,30)31)19-9-6-10-25(27,28)14-19)16(2)17-7-5-8-18(13-17)20-15-35-12-11-32-22(35)23(33-20)38-3/h5,7-8,11-13,15-16,19,21H,4,6,9-10,14H2,1-3H3,(H,34,37)/t16-,19?,21+/m1/s1
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| InChIKey |
ASMFYWPVOKVIDT-SZBOGAFOSA-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