General Information of the Compound
| Compound ID |
CP0473655
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| Compound Name |
[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine
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| Structure |
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| Formula |
C31H26Cl2N6O
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| Molecular Weight |
569.496
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(N)(c1cncn1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H26Cl2N6O/c1-38-19-35-18-28(38)31(34,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(37-27)40-2)16-20-4-11-24(12-5-20)39-15-3-14-36-39/h3-15,17-19H,16,34H2,1-2H3
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| InChIKey |
ZSUTWDBYCLBLLN-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