General Information of the Compound
| Compound ID |
CP0254940
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| Compound Name |
(S)-N-(2-(3-Aminopiperidin-1-yl)-5-(trifluoromethyl)phenyl)-5-(2-(2-aminopyrimidin-5-yl)ethynyl)-2-fluorobenzamide
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| Structure |
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| Formula |
C25H22F4N6O
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| Molecular Weight |
498.484
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| Canonical SMILES |
N[C@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F4N6O/c26-20-7-5-15(3-4-16-12-32-24(31)33-13-16)10-19(20)23(36)34-21-11-17(25(27,28)29)6-8-22(21)35-9-1-2-18(30)14-35/h5-8,10-13,18H,1-2,9,14,30H2,(H,34,36)(H2,31,32,33)/t18-/m0/s1
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| InChIKey |
UWBXUVYFALFCFH-SFHVURJKSA-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