General Information of the Compound
| Compound ID |
CP0540140
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| Compound Name |
N-(cyclopropanecarbonyl)-N-(4-((4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C22H22F3N5O2
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| Molecular Weight |
445.445
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| Canonical SMILES |
FC(F)(F)c1cnc(Nc2ccc(cc2)N(C(=O)C2CC2)C(=O)C2CC2)nc1NC1CC1
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| InChI |
InChI=1S/C22H22F3N5O2/c23-22(24,25)17-11-26-21(29-18(17)27-14-5-6-14)28-15-7-9-16(10-8-15)30(19(31)12-1-2-12)20(32)13-3-4-13/h7-14H,1-6H2,(H2,26,27,28,29)
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| InChIKey |
CGCLBQVQIDBROG-UHFFFAOYSA-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