General Information of the Compound
| Compound ID |
CP0502114
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| Compound Name |
1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-propyl}-3-[3-(pyridin-2-ylamino)-propyl]-thiourea
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| Structure |
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| Formula |
C24H27BrCl2N6S
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| Molecular Weight |
582.399
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| Canonical SMILES |
Clc1ccc(CN(CCCNC(=S)NCCCNc2ccccn2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C24H27BrCl2N6S/c25-19-7-9-23(32-16-19)33(17-18-6-8-20(26)21(27)15-18)14-4-13-31-24(34)30-12-3-11-29-22-5-1-2-10-28-22/h1-2,5-10,15-16H,3-4,11-14,17H2,(H,28,29)(H2,30,31,34)
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| InChIKey |
LSBNBXGDMFDJPP-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