General Information of the Compound
| Compound ID |
CP0874150
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| Compound Name |
(4-(3-(cyclopentylamino)quinoxalin-2-yl)piperazin-1-yl)(2,5-dichlorophenyl)methanone 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H26Cl2F3N5O3
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| Molecular Weight |
584.426
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| Canonical SMILES |
O=C(O)C(F)(F)F.O=C(c1cc(Cl)ccc1Cl)N1CCN(c2nc3ccccc3nc2NC2CCCC2)CC1
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| InChI |
InChI=1S/C24H25Cl2N5O.C2HF3O2/c25-16-9-10-19(26)18(15-16)24(32)31-13-11-30(12-14-31)23-22(27-17-5-1-2-6-17)28-20-7-3-4-8-21(20)29-23;3-2(4,5)1(6)7/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,27,28);(H,6,7)
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| InChIKey |
MIDHDXXMSILDGH-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