General Information of the Compound
| Compound ID |
CP0544221
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| Compound Name |
1-[2,2-difluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)pyridin-2-yl]propyl]-1-ethyl-3-[(3R)-1,1,1-trifluoropentan-3-yl]urea
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| Structure |
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| Formula |
C24H29F5N6O3
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| Molecular Weight |
544.525
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| Canonical SMILES |
CC[C@H](CC(F)(F)F)NC(=O)N(CC)C(c1cc(c(OC)cn1)-c1cn2ccnc2c(OC)n1)C(C)(F)F
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| InChI |
InChI=1S/C24H29F5N6O3/c1-6-14(11-24(27,28)29)32-22(36)35(7-2)19(23(3,25)26)16-10-15(18(37-4)12-31-16)17-13-34-9-8-30-20(34)21(33-17)38-5/h8-10,12-14,19H,6-7,11H2,1-5H3,(H,32,36)/t14-,19?/m1/s1
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| InChIKey |
UPRYKUIFRBALAJ-MJTSIZKDSA-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