General Information of the Compound
| Compound ID |
CP0195040
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| Compound Name |
US8637504, 59
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| Structure |
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| Formula |
C18H13ClFN5OS
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| Molecular Weight |
401.854
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| Canonical SMILES |
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
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| InChI |
InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1
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| InChIKey |
IFZDIAKAFRXVOQ-SFHVURJKSA-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