General Information of the Compound
| Compound ID |
CP0097529
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| Compound Name |
N-[3-[(4aR,7aS)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
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| Structure |
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| Formula |
C19H18F2N4OS
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| Molecular Weight |
388.443
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| Canonical SMILES |
NC1=N[C@]2(CCC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
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| InChI |
InChI=1S/C19H18F2N4OS/c20-12-3-6-16(23-9-12)17(26)24-13-4-5-15(21)14(8-13)19-7-1-2-11(19)10-27-18(22)25-19/h3-6,8-9,11H,1-2,7,10H2,(H2,22,25)(H,24,26)/t11-,19-/m0/s1
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| InChIKey |
UIAVKAKVAXWNHJ-WLRWDXFRSA-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