General Information of the Compound
| Compound ID |
CP0965007
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| Compound Name |
(R)-3-(4-(2-fluoro-4-methoxybenzyl)piperazin-1-yl)-7-methyl-N-(tetrahydrofuran-3-yl)pyrido[3,4-b]pyrazin-2-amine
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| Structure |
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| Formula |
C24H29FN6O2
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| Molecular Weight |
452.534
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| Canonical SMILES |
COc1ccc(CN2CCN(c3nc4cnc(C)cc4nc3N[C@@H]3CCOC3)CC2)c(F)c1
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| InChI |
InChI=1S/C24H29FN6O2/c1-16-11-21-22(13-26-16)29-24(23(28-21)27-18-5-10-33-15-18)31-8-6-30(7-9-31)14-17-3-4-19(32-2)12-20(17)25/h3-4,11-13,18H,5-10,14-15H2,1-2H3,(H,27,28)/t18-/m1/s1
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| InChIKey |
BYUFHJCIUUMTIT-GOSISDBHSA-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