General Information of the Compound
| Compound ID |
CP0947244
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-{[2-(morpholin-4-yl)pyridin-4-yl]methyl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C24H27N7O2S
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| Molecular Weight |
477.594
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| Canonical SMILES |
O=C(NCc1ccnc(N2CCOCC2)c1)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C24H27N7O2S/c32-24(27-14-17-5-8-26-22(13-17)31-9-11-33-12-10-31)20-16-34-23(30-20)6-7-25-15-21-28-18-3-1-2-4-19(18)29-21/h1-5,8,13,16,25H,6-7,9-12,14-15H2,(H,27,32)(H,28,29)
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| InChIKey |
YONKYGGAIAVJKV-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