General Information of the Compound
| Compound ID |
CP0413821
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| Compound Name |
(4-butyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]methanone
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| Structure |
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| Formula |
C23H22Cl2N4O2
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| Molecular Weight |
457.361
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| Canonical SMILES |
CCCCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C23H22Cl2N4O2/c1-2-3-10-28-11-12-29(20-7-5-4-6-19(20)28)23(30)17-14-26-15-27-22(17)31-21-13-16(24)8-9-18(21)25/h4-9,13-15H,2-3,10-12H2,1H3
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| InChIKey |
UQBGTZFHMRHWLQ-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