General Information of the Compound
| Compound ID |
CP0337595
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| Compound Name |
7-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
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| Structure |
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| Formula |
C22H26ClFN6OS
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| Molecular Weight |
477.009
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| Canonical SMILES |
Cl.Cc1cnc2c(N)c(sc2n1)C(=O)NCCc1ccc(N2CC3CCC(C2)N3)c(F)c1
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| InChI |
InChI=1S/C22H25FN6OS.ClH/c1-12-9-26-19-18(24)20(31-22(19)27-12)21(30)25-7-6-13-2-5-17(16(23)8-13)29-10-14-3-4-15(11-29)28-14;/h2,5,8-9,14-15,28H,3-4,6-7,10-11,24H2,1H3,(H,25,30);1H
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| InChIKey |
VIDUJJYBCYJRRE-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