General Information of the Compound
| Compound ID |
CP0424144
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| Compound Name |
US8987445, 213
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| Structure |
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| Formula |
C30H22F3N3O5S
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| Molecular Weight |
593.583
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| Canonical SMILES |
Cc1c(nc(-c2cccnc2)c2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C30H22F3N3O5S/c1-19-25-6-2-3-7-26(25)27(22-5-4-16-34-17-22)35-28(19)36(18-20-8-12-23(13-9-20)41-30(31,32)33)42(39,40)24-14-10-21(11-15-24)29(37)38/h2-17H,18H2,1H3,(H,37,38)
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| InChIKey |
RHUGXUHPJUSTDG-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