General Information of the Compound
| Compound ID |
CP0941149
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(2-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C22H20N6OS
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| Molecular Weight |
416.51
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| Canonical SMILES |
N#Cc1ccccc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C22H20N6OS/c23-11-15-5-1-2-6-16(15)12-25-22(29)19-14-30-21(28-19)9-10-24-13-20-26-17-7-3-4-8-18(17)27-20/h1-8,14,24H,9-10,12-13H2,(H,25,29)(H,26,27)
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| InChIKey |
HZCGDUZJYBRXQG-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
Protein ID: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1