General Information of the Compound
| Compound ID |
CP0903275
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| Compound Name |
N-cyclopropyl-3-(4-(2,5-dimethylbenzyl)piperazin-1-yl)pyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H29F3N6O2
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| Molecular Weight |
502.541
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| Canonical SMILES |
Cc1ccc(C)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H28N6.C2HF3O2/c1-16-3-4-17(2)18(13-16)15-28-9-11-29(12-10-28)23-22(25-19-5-6-19)26-20-7-8-24-14-21(20)27-23;3-2(4,5)1(6)7/h3-4,7-8,13-14,19H,5-6,9-12,15H2,1-2H3,(H,25,26);(H,6,7)
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| InChIKey |
RPRNUANLWPEKBZ-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