General Information of the Compound
| Compound ID |
CP0413339
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| Compound Name |
US9133168, Example 11e
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| Structure |
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| Formula |
C19H21FN4O2S
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| Molecular Weight |
388.468
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| Canonical SMILES |
C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1
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| InChI |
InChI=1S/C19H21FN4O2S/c1-12-10-13-4-2-3-5-14(13)24(12)16(25)11-15-21-18(17(20)19(27)22-15)23-6-8-26-9-7-23/h2-5,12H,6-11H2,1H3,(H,21,22,27)/t12-/m1/s1
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| InChIKey |
ZVNGTCORBWGENG-GFCCVEGCSA-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