General Information of the Compound
| Compound ID |
CP0470261
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| Compound Name |
4-amino-6-[[2-(4-formylphenoxymethyl)benzoyl]amino]-2-methylquinoline
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| Structure |
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| Formula |
C25H21N3O3
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| Molecular Weight |
411.461
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C=O)cc3)ccc2n1
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| InChI |
InChI=1S/C25H21N3O3/c1-16-12-23(26)22-13-19(8-11-24(22)27-16)28-25(30)21-5-3-2-4-18(21)15-31-20-9-6-17(14-29)7-10-20/h2-14H,15H2,1H3,(H2,26,27)(H,28,30)
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| InChIKey |
OLXQXKNBBRAAMI-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