General Information of the Compound
| Compound ID |
CP0903147
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C20H23N7OS
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| Molecular Weight |
409.519
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| Canonical SMILES |
Cc1c(CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)cnn1C
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| InChI |
InChI=1S/C20H23N7OS/c1-13-14(10-23-27(13)2)9-22-20(28)17-12-29-19(26-17)7-8-21-11-18-24-15-5-3-4-6-16(15)25-18/h3-6,10,12,21H,7-9,11H2,1-2H3,(H,22,28)(H,24,25)
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| InChIKey |
QWVIXWBIZXRKRL-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