General Information of the Compound
| Compound ID |
CP0499002
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| Compound Name |
2-(pyridin-3-yl)-4-o-tolyl-N-(3-vinylphenyl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
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| Structure |
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| Formula |
C28H25N5O
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| Molecular Weight |
447.542
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| Canonical SMILES |
Cc1ccccc1-c1nc(nc2CCN(Cc12)C(=O)Nc1cccc(C=C)c1)-c1cccnc1
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| InChI |
InChI=1S/C28H25N5O/c1-3-20-9-6-11-22(16-20)30-28(34)33-15-13-25-24(18-33)26(23-12-5-4-8-19(23)2)32-27(31-25)21-10-7-14-29-17-21/h3-12,14,16-17H,1,13,15,18H2,2H3,(H,30,34)
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| InChIKey |
WGEVQWOFROFDCU-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