General Information of the Compound
| Compound ID |
CP0575537
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| Compound Name |
7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
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| Structure |
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| Formula |
C23H27FN6OS
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| Molecular Weight |
454.575
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| Canonical SMILES |
C[C@@H](CNC(=O)c1sc2nc(C)cnc2c1N)c1ccc(N2CC3CCC(C2)N3)c(F)c1
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| InChI |
InChI=1S/C23H27FN6OS/c1-12(8-27-22(31)21-19(25)20-23(32-21)28-13(2)9-26-20)14-3-6-18(17(24)7-14)30-10-15-4-5-16(11-30)29-15/h3,6-7,9,12,15-16,29H,4-5,8,10-11,25H2,1-2H3,(H,27,31)/t12-,15?,16?/m0/s1
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| InChIKey |
HGSLLSJZVGUOGE-JQRITLKVSA-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