General Information of the Compound
| Compound ID |
CP0848967
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| Compound Name |
(4-chloro-2,6-difluorophenyl)(1-(2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)methanone 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H21ClF5N5O3
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| Molecular Weight |
557.907
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| Canonical SMILES |
O=C(O)C(F)(F)F.O=C(c1c(F)cc(Cl)cc1F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1
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| InChI |
InChI=1S/C22H20ClF2N5O.C2HF3O2/c23-13-9-15(24)19(16(25)10-13)20(31)12-4-7-30(8-5-12)22-21(27-14-1-2-14)28-17-3-6-26-11-18(17)29-22;3-2(4,5)1(6)7/h3,6,9-12,14H,1-2,4-5,7-8H2,(H,27,28);(H,6,7)
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| InChIKey |
LMMFBEJAJNMTDY-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