General Information of the Compound
| Compound ID |
CP0880277
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| Compound Name |
2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-5-methyl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C21H23N7OS
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| Molecular Weight |
421.53
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| Canonical SMILES |
Cc1sc(CCNCCc2nc3ccccc3[nH]2)nc1C(=O)NCc1ncccn1
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| InChI |
InChI=1S/C21H23N7OS/c1-14-20(21(29)25-13-18-23-9-4-10-24-18)28-19(30-14)8-12-22-11-7-17-26-15-5-2-3-6-16(15)27-17/h2-6,9-10,22H,7-8,11-13H2,1H3,(H,25,29)(H,26,27)
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| InChIKey |
JZYPUDRSOTYKNN-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