General Information of the Compound
| Compound ID |
CP0513411
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| Compound Name |
US9126941, RD67
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| Structure |
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| Formula |
C20H14Cl2F3N3OS
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| Molecular Weight |
472.319
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| Canonical SMILES |
Cc1ccc(cc1)N1C(=S)N(C(=O)C1(CCl)CCl)c1ccc([N+]#[C-])c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H14Cl2F3N3OS/c1-12-3-5-13(6-4-12)28-18(30)27(17(29)19(28,10-21)11-22)14-7-8-16(26-2)15(9-14)20(23,24)25/h3-9H,10-11H2,1H3
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| InChIKey |
JZGWWSIIAWHGJH-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