General Information of the Compound
| Compound ID |
CP0472157
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| Compound Name |
(1H-Benzoimidazol-2-yl)-{3-[4-(3-diisobutylamino-propyl)-piperazin-1-yl]-propyl}-amine
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| Structure |
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| Formula |
C25H44N6
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| Molecular Weight |
428.669
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| Canonical SMILES |
CC(C)CN(CCCN1CCN(CCCNc2nc3ccccc3[nH]2)CC1)CC(C)C
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| InChI |
InChI=1S/C25H44N6/c1-21(2)19-31(20-22(3)4)14-8-13-30-17-15-29(16-18-30)12-7-11-26-25-27-23-9-5-6-10-24(23)28-25/h5-6,9-10,21-22H,7-8,11-20H2,1-4H3,(H2,26,27,28)
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| InChIKey |
KLKKWCPJBTXWOV-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