General Information of the Compound
| Compound ID |
CP0398781
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| Compound Name |
1-[3-[6-(butylamino)pyridin-2-yl]phenyl]-3-(4-chlorophenyl)urea
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| Structure |
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| Formula |
C22H23ClN4O
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| Molecular Weight |
394.906
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| Canonical SMILES |
CCCCNc1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C22H23ClN4O/c1-2-3-14-24-21-9-5-8-20(27-21)16-6-4-7-19(15-16)26-22(28)25-18-12-10-17(23)11-13-18/h4-13,15H,2-3,14H2,1H3,(H,24,27)(H2,25,26,28)
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| InChIKey |
CQQJSPNPVOSJDM-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