General Information of the Compound
| Compound ID |
CP0556180
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| Compound Name |
US9303015, 46
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| Structure |
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| Formula |
C27H16Cl2F6N4O2
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| Molecular Weight |
613.345
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| Canonical SMILES |
Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(Cl)c(Oc3ccc(Cl)cc3)c(c2c1)C(F)(F)F
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| InChI |
InChI=1S/C27H16Cl2F6N4O2/c1-39-13-36-12-21(39)25(40,15-3-9-20(37-11-15)26(30,31)32)14-2-8-19-18(10-14)22(27(33,34)35)23(24(29)38-19)41-17-6-4-16(28)5-7-17/h2-13,40H,1H3
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| InChIKey |
QJWLSDFUZNNSGX-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