General Information of the Compound
| Compound ID |
CP0576903
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| Compound Name |
US9278960, 4-119
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| Structure |
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| Formula |
C20H20F3N5OS
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| Molecular Weight |
435.475
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(CN3CCSC(C3)C(F)(F)F)ccc12)C(N)=O
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| InChI |
InChI=1S/C20H20F3N5OS/c1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)
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| InChIKey |
XQVPFMFFDRXBTC-UHFFFAOYSA-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