General Information of the Compound
| Compound ID |
CP0953916
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-{[2-(4-methylpiperazin-1-yl)phenyl]methyl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C26H31N7OS
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| Molecular Weight |
489.649
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| Canonical SMILES |
CN1CCN(c2ccccc2CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)CC1
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| InChI |
InChI=1S/C26H31N7OS/c1-32-12-14-33(15-13-32)23-9-5-2-6-19(23)16-28-26(34)22-18-35-25(31-22)10-11-27-17-24-29-20-7-3-4-8-21(20)30-24/h2-9,18,27H,10-17H2,1H3,(H,28,34)(H,29,30)
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| InChIKey |
PEYRGHUYETUFKN-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