General Information of the Compound
| Compound ID |
CP0546767
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| Compound Name |
3-chloro-N-[2-chloro-5-[2-(cyclopropylmethylamino)-1,3-benzothiazol-6-yl]pyridin-3-yl]benzamide
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| Structure |
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| Formula |
C23H18Cl2N4OS
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| Molecular Weight |
469.397
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| Canonical SMILES |
Clc1cccc(c1)C(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NCC3CC3)sc2c1
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| InChI |
InChI=1S/C23H18Cl2N4OS/c24-17-3-1-2-15(8-17)22(30)28-19-9-16(12-26-21(19)25)14-6-7-18-20(10-14)31-23(29-18)27-11-13-4-5-13/h1-3,6-10,12-13H,4-5,11H2,(H,27,29)(H,28,30)
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| InChIKey |
VSYXKTJYHCGIGG-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