General Information of the Compound
| Compound ID |
CP0874540
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C19H19N7OS
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| Molecular Weight |
393.476
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| Canonical SMILES |
O=C(NCc1ccncn1)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C19H19N7OS/c27-19(22-9-13-5-7-21-12-23-13)16-11-28-18(26-16)6-8-20-10-17-24-14-3-1-2-4-15(14)25-17/h1-5,7,11-12,20H,6,8-10H2,(H,22,27)(H,24,25)
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| InChIKey |
RCVPXWSOKBCANY-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