General Information of the Compound
| Compound ID |
CP0920001
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| Compound Name |
3-(4-(4-phenylpiperazin-1-yl)butyl)pyrimido[5,4-c]quinolin-4(3H)-one dihydrochloride
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| Structure |
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| Formula |
C25H29Cl2N5O
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| Molecular Weight |
486.447
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| Canonical SMILES |
Cl.Cl.O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2)CC1
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| InChI |
InChI=1S/C25H27N5O.2ClH/c31-25-22-18-26-23-11-5-4-10-21(23)24(22)27-19-30(25)13-7-6-12-28-14-16-29(17-15-28)20-8-2-1-3-9-20;;/h1-5,8-11,18-19H,6-7,12-17H2;2*1H
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| InChIKey |
HJGRZHXMHFRKTC-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