General Information of the Compound
| Compound ID |
CP0499003
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| Compound Name |
N-(3-cyclopropylphenyl)-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 |
C29H27N5O
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| Molecular Weight |
461.569
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| Canonical SMILES |
Cc1ccccc1-c1nc(nc2CCN(Cc12)C(=O)Nc1cccc(c1)C1CC1)-c1cccnc1
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| InChI |
InChI=1S/C29H27N5O/c1-19-6-2-3-10-24(19)27-25-18-34(29(35)31-23-9-4-7-21(16-23)20-11-12-20)15-13-26(25)32-28(33-27)22-8-5-14-30-17-22/h2-10,14,16-17,20H,11-13,15,18H2,1H3,(H,31,35)
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| InChIKey |
BMESARUQEQBODD-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