General Information of the Compound
| Compound ID |
CP0915470
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| Compound Name |
3-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyrimido[5,4-c]quinolin-4(3H)-one dihydrochloride
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| Structure |
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| Formula |
C26H31Cl2N5O2
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| Molecular Weight |
516.473
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCn2cnc3c(cnc4ccccc43)c2=O)CC1.Cl.Cl
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| InChI |
InChI=1S/C26H29N5O2.2ClH/c1-33-24-11-5-4-10-23(24)30-16-14-29(15-17-30)12-6-7-13-31-19-28-25-20-8-2-3-9-22(20)27-18-21(25)26(31)32;;/h2-5,8-11,18-19H,6-7,12-17H2,1H3;2*1H
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| InChIKey |
UCRMXHCEMCXHFV-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