General Information of the Compound
| Compound ID |
CP0485758
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| Compound Name |
6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one
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| Structure |
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| Formula |
C14H17ClN4O
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| Molecular Weight |
292.77
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| Canonical SMILES |
CN1CCCN(CC1)c1nc2cc(Cl)ccc2[nH]c1=O
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| InChI |
InChI=1S/C14H17ClN4O/c1-18-5-2-6-19(8-7-18)13-14(20)17-11-4-3-10(15)9-12(11)16-13/h3-4,9H,2,5-8H2,1H3,(H,17,20)
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| InChIKey |
MPEWMXKLVHRQBL-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