General Information of the Compound
| Compound ID |
CP0499959
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dimethoxyphenoxy)pyridin-3-yl]methanone
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| Structure |
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| Formula |
C25H25N3O4
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| Molecular Weight |
431.492
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| Canonical SMILES |
COc1ccc(OC)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
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| InChI |
InChI=1S/C25H25N3O4/c1-30-18-9-10-23(31-2)24(15-18)32-22-11-12-26-16-19(22)25(29)28-14-13-27(17-7-8-17)20-5-3-4-6-21(20)28/h3-6,9-12,15-17H,7-8,13-14H2,1-2H3
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| InChIKey |
XOAQFQRUIFCJCG-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