General Information of the Compound
| Compound ID |
CP0949195
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| Compound Name |
3-(4-(4-chlorobenzoyl)piperazin-1-yl)-2-(cyclobutylamino)quinoxaline-6-carbonitrile
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| Structure |
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| Formula |
C24H23ClN6O
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| Molecular Weight |
446.942
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| Canonical SMILES |
N#Cc1ccc2nc(NC3CCC3)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1
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| InChI |
InChI=1S/C24H23ClN6O/c25-18-7-5-17(6-8-18)24(32)31-12-10-30(11-13-31)23-22(27-19-2-1-3-19)28-20-9-4-16(15-26)14-21(20)29-23/h4-9,14,19H,1-3,10-13H2,(H,27,28)
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| InChIKey |
OREWLCOQKKFZFI-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