General Information of the Compound
| Compound ID |
CP0947239
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| Compound Name |
2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-5-chloro-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C21H21ClN6OS
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| Molecular Weight |
440.96
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| Canonical SMILES |
O=C(NCc1ccccn1)c1nc(CCNCCc2nc3ccccc3[nH]2)sc1Cl
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| InChI |
InChI=1S/C21H21ClN6OS/c22-20-19(21(29)25-13-14-5-3-4-10-24-14)28-18(30-20)9-12-23-11-8-17-26-15-6-1-2-7-16(15)27-17/h1-7,10,23H,8-9,11-13H2,(H,25,29)(H,26,27)
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| InChIKey |
CLSBUDSVXZVEID-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