General Information of the Compound
| Compound ID |
CP0917304
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| Compound Name |
3-(4-(4-(3-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 |
COc1cccc(N2CCN(CCCCn3cnc4c(cnc5ccccc54)c3=O)CC2)c1.Cl.Cl
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| InChI |
InChI=1S/C26H29N5O2.2ClH/c1-33-21-8-6-7-20(17-21)30-15-13-29(14-16-30)11-4-5-12-31-19-28-25-22-9-2-3-10-24(22)27-18-23(25)26(31)32;;/h2-3,6-10,17-19H,4-5,11-16H2,1H3;2*1H
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| InChIKey |
MQSXPCWSWXIYNH-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