General Information of the Compound
| Compound ID |
CP0965006
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| Compound Name |
trans-3-(4-(2,4-difluorobenzyl)piperazin-l-yl)-N-(3-fluorocyclobutyl)-7-methylpyrido[3,4-b]pyrazin-2-amine
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| Formula |
C23H25F3N6
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| Molecular Weight |
442.489
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| Canonical SMILES |
Cc1cc2nc(N[C@H]3C[C@H](F)C3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1
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| InChI |
InChI=1S/C23H25F3N6/c1-14-8-20-21(12-27-14)30-23(22(29-20)28-18-9-17(25)10-18)32-6-4-31(5-7-32)13-15-2-3-16(24)11-19(15)26/h2-3,8,11-12,17-18H,4-7,9-10,13H2,1H3,(H,28,29)/t17-,18-
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| InChIKey |
FORRSFSVIFHJBA-IYARVYRRSA-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