General Information of the Compound
| Compound ID |
CP0474678
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| Compound Name |
US9126941, RD37
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| Structure |
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| Formula |
C21H16F3N3OS
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| Molecular Weight |
415.44
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| Canonical SMILES |
Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N3OS/c1-13-4-6-14(7-5-13)27-19(29)26(18(28)20(27)10-3-11-20)15-8-9-17(25-2)16(12-15)21(22,23)24/h4-9,12H,3,10-11H2,1H3
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| InChIKey |
BNPJETNROGKXJL-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