General Information of the Compound
| Compound ID |
CP0310487
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| Compound Name |
[3-[6-[(4-cyclopropylpyridin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C25H27N5O
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| Molecular Weight |
413.525
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| Canonical SMILES |
Cc1nc(Nc2cc(ccn2)C2CC2)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C25H27N5O/c1-17-27-22(15-24(28-17)29-23-14-20(11-12-26-23)18-9-10-18)21-8-5-13-30(16-21)25(31)19-6-3-2-4-7-19/h2-4,6-7,11-12,14-15,18,21H,5,8-10,13,16H2,1H3,(H,26,27,28,29)
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| InChIKey |
GQHCEFMDGMWZFB-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