General Information of the Compound
| Compound ID |
CP0494426
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| Compound Name |
N-[3-(1,1-difluoroethyl)phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C28H25F2N5O
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| Molecular Weight |
485.538
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| Canonical SMILES |
Cc1ccccc1-c1nc(nc2CCN(Cc12)C(=O)Nc1cccc(c1)C(C)(F)F)-c1cccnc1
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| InChI |
InChI=1S/C28H25F2N5O/c1-18-7-3-4-11-22(18)25-23-17-35(27(36)32-21-10-5-9-20(15-21)28(2,29)30)14-12-24(23)33-26(34-25)19-8-6-13-31-16-19/h3-11,13,15-16H,12,14,17H2,1-2H3,(H,32,36)
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| InChIKey |
QCMKJUXGMZJXGD-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