General Information of the Compound
| Compound ID |
CP0376036
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| Compound Name |
1-{3-[(4-Bromo-benzyl)-pyridin-2-yl-amino]-propyl}-3-[3-(pyridin-2-ylamino)-propyl]-thiourea
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| Structure |
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| Formula |
C24H29BrN6S
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| Molecular Weight |
513.509
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| Canonical SMILES |
Brc1ccc(CN(CCCNC(=S)NCCCNc2ccccn2)c2ccccn2)cc1
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| InChI |
InChI=1S/C24H29BrN6S/c25-21-11-9-20(10-12-21)19-31(23-8-2-4-14-28-23)18-6-17-30-24(32)29-16-5-15-27-22-7-1-3-13-26-22/h1-4,7-14H,5-6,15-19H2,(H,26,27)(H2,29,30,32)
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| InChIKey |
LPFGEJGDBQHPNH-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