General Information of the Compound
| Compound ID |
CP0931136
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| Compound Name |
2-(4-(3-chloro-5-(isopropylamino)benzoyl)piperidin-1-yl)-3-(isopropylamino)quinoxaline-6-carbonitrile
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| Structure |
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| Formula |
C27H31ClN6O
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| Molecular Weight |
491.039
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| Canonical SMILES |
CC(C)Nc1cc(Cl)cc(C(=O)C2CCN(c3nc4ccc(C#N)cc4nc3NC(C)C)CC2)c1
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| InChI |
InChI=1S/C27H31ClN6O/c1-16(2)30-22-13-20(12-21(28)14-22)25(35)19-7-9-34(10-8-19)27-26(31-17(3)4)32-24-11-18(15-29)5-6-23(24)33-27/h5-6,11-14,16-17,19,30H,7-10H2,1-4H3,(H,31,32)
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| InChIKey |
ZZYGZUDTUOPHHK-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