General Information of the Compound
| Compound ID |
CP0384624
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| Compound Name |
N-[(3,5-dimethoxyphenyl)methyl]-5-phenyltetrazolo[1,5-a]quinoline-4-carboxamide
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| Structure |
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| Formula |
C25H21N5O3
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| Molecular Weight |
439.475
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| Canonical SMILES |
COc1cc(CNC(=O)c2c(-c3ccccc3)c3ccccc3n3nnnc23)cc(OC)c1
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| InChI |
InChI=1S/C25H21N5O3/c1-32-18-12-16(13-19(14-18)33-2)15-26-25(31)23-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)30-24(23)27-28-29-30/h3-14H,15H2,1-2H3,(H,26,31)
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| InChIKey |
KRTWVGJSCCFWEQ-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