General Information of the Compound
| Compound ID |
CP0518716
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| Compound Name |
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-yne-1,4-diamine
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| Structure |
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| Formula |
C21H23N5
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| Molecular Weight |
345.45
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| Canonical SMILES |
NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C21H23N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25)
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| InChIKey |
ZQXRSZGLCHGNLB-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