General Information of the Compound
| Compound ID |
CP0070468
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| Compound Name |
4-(pyridin-4-ylmethylamino)-N-(quinolin-2-yl)isothiazole-3-carboxamide
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| Structure |
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| Formula |
C19H15N5OS
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| Molecular Weight |
361.43
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| Canonical SMILES |
O=C(Nc1ccc2ccccc2n1)c1nscc1NCc1ccncc1
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| InChI |
InChI=1S/C19H15N5OS/c25-19(23-17-6-5-14-3-1-2-4-15(14)22-17)18-16(12-26-24-18)21-11-13-7-9-20-10-8-13/h1-10,12,21H,11H2,(H,22,23,25)
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| InChIKey |
HCUUQTPVROSCNE-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