General Information of the Compound
| Compound ID |
CP0442273
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| Compound Name |
US8987445, 210
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| Structure |
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| Formula |
C30H24F3N2NaO4S
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| Molecular Weight |
588.583
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| Canonical SMILES |
Fc1cc(CN(c2ncc3ccccc3c2C2CC2)S(=O)(=O)c2ccc(cc2)C(=O)O[Na])ccc1C(F)(F)C1CC1
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| InChI |
InChI=1S/C30H25F3N2O4S.Na/c31-26-15-18(5-14-25(26)30(32,33)22-10-11-22)17-35(40(38,39)23-12-8-20(9-13-23)29(36)37)28-27(19-6-7-19)24-4-2-1-3-21(24)16-34-28;/h1-5,8-9,12-16,19,22H,6-7,10-11,17H2,(H,36,37);/q;+1/p-1
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| InChIKey |
YXCVJVQGGQGSQX-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