General Information of the Compound
| Compound ID |
CP0452715
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| Compound Name |
[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]-(4-propyl-2,3-dihydroquinoxalin-1-yl)methanone
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| Structure |
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| Formula |
C22H20Cl2N4O2
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| Molecular Weight |
443.334
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| Canonical SMILES |
CCCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C22H20Cl2N4O2/c1-2-9-27-10-11-28(19-6-4-3-5-18(19)27)22(29)16-13-25-14-26-21(16)30-20-12-15(23)7-8-17(20)24/h3-8,12-14H,2,9-11H2,1H3
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| InChIKey |
IZYGXPVQPRUSGM-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