General Information of the Compound
| Compound ID |
CP0540568
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| Compound Name |
N-[2-[4-(3,5-difluorophenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide
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| Structure |
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| Formula |
C21H21F2N5O
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| Molecular Weight |
397.429
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| Canonical SMILES |
Fc1cc(F)cc(c1)N1CCN(CCNC(=O)c2cnc3ccccc3n2)CC1
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| InChI |
InChI=1S/C21H21F2N5O/c22-15-11-16(23)13-17(12-15)28-9-7-27(8-10-28)6-5-24-21(29)20-14-25-18-3-1-2-4-19(18)26-20/h1-4,11-14H,5-10H2,(H,24,29)
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| InChIKey |
ACOGYNPKOWYKEV-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