General Information of the Compound
| Compound ID |
CP0555621
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| Compound Name |
6-(2,5-dichloroanilino)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyrimidin-2-one
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| Structure |
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| Formula |
C20H17Cl2N5O2
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| Molecular Weight |
430.295
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| Canonical SMILES |
CN1CCN(C(=O)c2cnc(O)nc2Nc2cc(Cl)ccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C20H17Cl2N5O2/c1-26-8-9-27(17-5-3-2-4-16(17)26)19(28)13-11-23-20(29)25-18(13)24-15-10-12(21)6-7-14(15)22/h2-7,10-11H,8-9H2,1H3,(H2,23,24,25,29)
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| InChIKey |
HIUFSEJNKUSNMU-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