General Information of the Compound
| Compound ID |
CP0542860
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| Compound Name |
N'-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
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| Structure |
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| Formula |
C23H35N7
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| Molecular Weight |
409.582
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| Canonical SMILES |
CN1CCN(CC1)c1cc(CN(CCCCN)C2CCCc3cccnc23)ncn1
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| InChI |
InChI=1S/C23H35N7/c1-28-12-14-29(15-13-28)22-16-20(26-18-27-22)17-30(11-3-2-9-24)21-8-4-6-19-7-5-10-25-23(19)21/h5,7,10,16,18,21H,2-4,6,8-9,11-15,17,24H2,1H3
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| InChIKey |
XMTBUALKDYUVME-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