General Information of the Compound
| Compound ID |
CP0956834
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| Compound Name |
3-(1-(2-(cyclopropylamino)-7-(4-methylpiperazine-1-carbonyl)pyrido[3,4-b]pyrazin-3-yl)piperidine-4-carbonyl)-4-fluorobenzonitrile 2,2,2-trifluoroacetic acid salt
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| Structure |
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| Formula |
C31H32F4N8O4
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| Molecular Weight |
656.641
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| Canonical SMILES |
CN1CCN(C(=O)c2cc3nc(NC4CC4)c(N4CCC(C(=O)c5cc(C#N)ccc5F)CC4)nc3cn2)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C29H31FN8O2.C2HF3O2/c1-36-10-12-38(13-11-36)29(40)24-15-23-25(17-32-24)35-28(27(34-23)33-20-3-4-20)37-8-6-19(7-9-37)26(39)21-14-18(16-31)2-5-22(21)30;3-2(4,5)1(6)7/h2,5,14-15,17,19-20H,3-4,6-13H2,1H3,(H,33,34);(H,6,7)
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| InChIKey |
PONXLKBJUJRIPW-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