General Information of the Compound
| Compound ID |
CP0551114
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| Compound Name |
US8987445, 95
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| Structure |
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| Formula |
C31H22F3N2NaO5S
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| Molecular Weight |
614.577
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| Canonical SMILES |
Cc1c(nc(-c2ccccc2)c2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C31H23F3N2O5S.Na/c1-20-26-9-5-6-10-27(26)28(22-7-3-2-4-8-22)35-29(20)36(19-21-11-15-24(16-12-21)41-31(32,33)34)42(39,40)25-17-13-23(14-18-25)30(37)38;/h2-18H,19H2,1H3,(H,37,38);/q;+1/p-1
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| InChIKey |
ADWLDTCAZORMAH-UHFFFAOYSA-M
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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