General Information of the Compound
| Compound ID |
CP0902228
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| Compound Name |
N-cyclopropyl-3-(4-(2,4-difluorobenzyl)piperidin-1-yl)-7-methoxypyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H26F5N5O3
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| Molecular Weight |
539.505
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| Canonical SMILES |
COc1cc2nc(NC3CC3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2cn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H25F2N5O.C2HF3O2/c1-31-21-12-19-20(13-26-21)29-23(22(28-19)27-17-4-5-17)30-8-6-14(7-9-30)10-15-2-3-16(24)11-18(15)25;3-2(4,5)1(6)7/h2-3,11-14,17H,4-10H2,1H3,(H,27,28);(H,6,7)
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| InChIKey |
JNLQRHXCPJILIO-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