General Information of the Compound
| Compound ID |
CP0954007
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| Compound Name |
US9328120, 18 (enantiomer 1)
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| Structure |
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| Formula |
C18H20F2N6OS
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| Molecular Weight |
406.462
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| Canonical SMILES |
Cc1nnc([C@H]2CC[C@@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)s1
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| InChI |
InChI=1S/C18H20F2N6OS/c1-9-24-25-17(28-9)12-3-2-11(12)14-22-15-13(16(27)23-14)8-21-26(15)10-4-6-18(19,20)7-5-10/h8,10-12H,2-7H2,1H3,(H,22,23,27)/t11-,12-/m0/s1
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| InChIKey |
ZFKMGSPKDCVGEG-RYUDHWBXSA-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