General Information of the Compound
| Compound ID |
CP0867668
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| Compound Name |
(4-(2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl)piperazin-1-yl)(4-(difluoromethyl)phenyl)methanone 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H23F5N6O3
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| Molecular Weight |
538.477
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| Canonical SMILES |
O=C(O)C(F)(F)F.O=C(c1ccc(C(F)F)cc1)N1CCN(c2nc3cnccc3nc2NC2CC2)CC1
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| InChI |
InChI=1S/C22H22F2N6O.C2HF3O2/c23-19(24)14-1-3-15(4-2-14)22(31)30-11-9-29(10-12-30)21-20(26-16-5-6-16)27-17-7-8-25-13-18(17)28-21;3-2(4,5)1(6)7/h1-4,7-8,13,16,19H,5-6,9-12H2,(H,26,27);(H,6,7)
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| InChIKey |
OBQCFFWKOWAOQD-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