General Information of the Compound
| Compound ID |
CP0053328
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| Compound Name |
2-[(pyridin-4-ylmethyl)amino]-N-(quinolin-3-yl)benzamide
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| Structure |
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| Formula |
C22H18N4O
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| Molecular Weight |
354.413
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| Canonical SMILES |
O=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1
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| InChI |
InChI=1S/C22H18N4O/c27-22(26-18-13-17-5-1-3-7-20(17)25-15-18)19-6-2-4-8-21(19)24-14-16-9-11-23-12-10-16/h1-13,15,24H,14H2,(H,26,27)
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| InChIKey |
QPJBZGJXBJLNQV-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