General Information of the Compound
| Compound ID |
CP0865028
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| Compound Name |
N-cyclopropyl-3-(4-(2,4,5-trifluorobenzyl)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 |
C23H22F6N6O2
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| Molecular Weight |
528.457
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| Canonical SMILES |
Fc1cc(F)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N6.C2HF3O2/c22-15-10-17(24)16(23)9-13(15)12-29-5-7-30(8-6-29)21-20(26-14-1-2-14)27-18-3-4-25-11-19(18)28-21;3-2(4,5)1(6)7/h3-4,9-11,14H,1-2,5-8,12H2,(H,26,27);(H,6,7)
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| InChIKey |
XRXLYQFYCQUTHW-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