General Information of the Compound
| Compound ID |
CP0405045
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| Compound Name |
2-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-2,6-diamine
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| Structure |
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| Formula |
C24H31N5O
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| Molecular Weight |
405.546
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNc2ccc3cc(N)ccc3n2)CC1
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| InChI |
InChI=1S/C24H31N5O/c1-30-23-7-3-2-6-22(23)29-16-14-28(15-17-29)13-5-4-12-26-24-11-8-19-18-20(25)9-10-21(19)27-24/h2-3,6-11,18H,4-5,12-17,25H2,1H3,(H,26,27)
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| InChIKey |
MTXXOEHYWJHPTL-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