General Information of the Compound
| Compound ID |
CP0940713
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| Compound Name |
3-(4-(4-(2-fluorophenyl)piperazin-1-yl)butyl)pyrimido[5,4-c]quinolin-4(3H)-one dihydrochloride
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| Structure |
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| Formula |
C25H28Cl2FN5O
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| Molecular Weight |
504.437
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| Canonical SMILES |
Cl.Cl.O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2F)CC1
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| InChI |
InChI=1S/C25H26FN5O.2ClH/c26-21-8-2-4-10-23(21)30-15-13-29(14-16-30)11-5-6-12-31-18-28-24-19-7-1-3-9-22(19)27-17-20(24)25(31)32;;/h1-4,7-10,17-18H,5-6,11-16H2;2*1H
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| InChIKey |
HNCCJROCHYNDND-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