General Information of the Compound
| Compound ID |
CP0949194
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| Compound Name |
3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H25Cl2F3N8O2
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| Molecular Weight |
609.44
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| Canonical SMILES |
Cc1nnc(Nc2nc3ccccc3nc2N2CCN(Cc3cc(Cl)ccc3Cl)CC2)nc1C.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H24Cl2N8.C2HF3O2/c1-15-16(2)31-32-24(27-15)30-22-23(29-21-6-4-3-5-20(21)28-22)34-11-9-33(10-12-34)14-17-13-18(25)7-8-19(17)26;3-2(4,5)1(6)7/h3-8,13H,9-12,14H2,1-2H3,(H,27,28,30,32);(H,6,7)
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| InChIKey |
HTZZNAZMTAGISL-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