General Information of the Compound
| Compound ID |
CP0527306
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| Compound Name |
US9242943, 34
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| Structure |
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| Formula |
C19H19ClFN5O
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| Molecular Weight |
387.846
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| Canonical SMILES |
Cn1nc(Nc2ccc(F)c(c2)[C@@]2(C)COCC(N)=N2)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C19H19ClFN5O/c1-19(10-27-9-17(22)24-19)14-8-12(4-6-15(14)21)23-18-13-5-3-11(20)7-16(13)26(2)25-18/h3-8H,9-10H2,1-2H3,(H2,22,24)(H,23,25)/t19-/m1/s1
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| InChIKey |
TWQFDPFLUOXDSO-LJQANCHMSA-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