General Information of the Compound
| Compound ID |
CP0567232
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| Compound Name |
2-(morpholine-4-carbonyl)-N-[2-(pyridin-4-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
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| Structure |
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| Formula |
C25H22N4O3S2
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| Molecular Weight |
490.61
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| Canonical SMILES |
O=C(Nc1ccc2nc(SCc3ccncc3)sc2c1)c1ccccc1C(=O)N1CCOCC1
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| InChI |
InChI=1S/C25H22N4O3S2/c30-23(19-3-1-2-4-20(19)24(31)29-11-13-32-14-12-29)27-18-5-6-21-22(15-18)34-25(28-21)33-16-17-7-9-26-10-8-17/h1-10,15H,11-14,16H2,(H,27,30)
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| InChIKey |
RLZHLTJDQDBAQI-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