General Information of the Compound
| Compound ID |
CP0103410
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| Compound Name |
N-(2-aminophenyl)-4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzamide
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| Structure |
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| Formula |
C27H29N5O3S
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| Molecular Weight |
503.628
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3s2)cc1
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| InChI |
InChI=1S/C27H29N5O3S/c28-22-3-1-2-4-23(22)30-26(33)20-7-5-19(6-8-20)18-29-27-31-24-10-9-21(17-25(24)36-27)35-16-13-32-11-14-34-15-12-32/h1-10,17H,11-16,18,28H2,(H,29,31)(H,30,33)
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| InChIKey |
UFNUYYXZNINYFN-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