General Information of the Compound
| Compound ID |
CP0547844
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| Compound Name |
7-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
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| Structure |
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| Formula |
C22H25ClF2N6OS
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| Molecular Weight |
494.999
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| Canonical SMILES |
Cl.Cc1cnc2c(N)c(sc2n1)C(=O)NCCc1cc(F)c(cc1F)N1CC2CCC(C1)N2
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| InChI |
InChI=1S/C22H24F2N6OS.ClH/c1-11-8-27-19-18(25)20(32-22(19)28-11)21(31)26-5-4-12-6-16(24)17(7-15(12)23)30-9-13-2-3-14(10-30)29-13;/h6-8,13-14,29H,2-5,9-10,25H2,1H3,(H,26,31);1H
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| InChIKey |
AWHVKIOGUZXTOT-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