General Information of the Compound
| Compound ID |
CP0571761
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| Compound Name |
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[(1R)-1-[5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-1-methyl-6-oxopyridin-3-yl]ethyl]urea
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| Formula |
C23H26F6N6O3
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| Molecular Weight |
548.488
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| Canonical SMILES |
CCN([C@H](C)c1cc(-c2cn3ccnc3c(OC)n2)c(=O)n(C)c1)C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H26F6N6O3/c1-5-35(21(37)32-17(23(27,28)29)6-7-22(24,25)26)13(2)14-10-15(20(36)33(3)11-14)16-12-34-9-8-30-18(34)19(31-16)38-4/h8-13,17H,5-7H2,1-4H3,(H,32,37)/t13-,17+/m1/s1
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| InChIKey |
ULVKXIPNGXNHJQ-DYVFJYSZSA-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