General Information of the Compound
| Compound ID |
CP0940714
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| Compound Name |
3-(4-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)butyl)pyrimido[5,4-c]quinolin-4(3H)-one dihydrochloride
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| Structure |
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| Formula |
C29H31Cl2N7O
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| Molecular Weight |
564.521
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| Canonical SMILES |
Cl.Cl.O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccc(-c3ncccn3)cc2)CC1
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| InChI |
InChI=1S/C29H29N7O.2ClH/c37-29-25-20-32-26-7-2-1-6-24(26)27(25)33-21-36(29)15-4-3-14-34-16-18-35(19-17-34)23-10-8-22(9-11-23)28-30-12-5-13-31-28;;/h1-2,5-13,20-21H,3-4,14-19H2;2*1H
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| InChIKey |
RQEOQIMATCYMJD-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