General Information of the Compound
| Compound ID |
CP0418815
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| Compound Name |
1-(1H-Benzoimidazol-2-ylmethyl)-3-{2-[(5-bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-ethyl}-thiourea
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| Structure |
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| Formula |
C23H21BrCl2N6S
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| Molecular Weight |
564.34
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| Canonical SMILES |
Clc1ccc(CN(CCNC(=S)NCc2nc3ccccc3[nH]2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C23H21BrCl2N6S/c24-16-6-8-22(28-12-16)32(14-15-5-7-17(25)18(26)11-15)10-9-27-23(33)29-13-21-30-19-3-1-2-4-20(19)31-21/h1-8,11-12H,9-10,13-14H2,(H,30,31)(H2,27,29,33)
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| InChIKey |
HDCDLIBRHFACAO-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