General Information of the Compound
| Compound ID |
CP0970385
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| Compound Name |
(S)-3-(4-(4-(difluoromethoxy)-2-fluorophenoxy)piperidin-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 |
C24H26F3N5O3
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| Molecular Weight |
489.498
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| Canonical SMILES |
Cc1cc2nc(N[C@H]3CCOC3)c(N3CCC(Oc4ccc(OC(F)F)cc4F)CC3)nc2cn1
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| InChI |
InChI=1S/C24H26F3N5O3/c1-14-10-19-20(12-28-14)31-23(22(30-19)29-15-6-9-33-13-15)32-7-4-16(5-8-32)34-21-3-2-17(11-18(21)25)35-24(26)27/h2-3,10-12,15-16,24H,4-9,13H2,1H3,(H,29,30)/t15-/m0/s1
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| InChIKey |
QXXBLWFLRXPUNW-HNNXBMFYSA-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