General Information of the Compound
| Compound ID |
CP0469792
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| Compound Name |
US9040693, 367
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| Structure |
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| Formula |
C23H17F3N2O7S
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| Molecular Weight |
522.457
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| Canonical SMILES |
COCCOc1ccc(F)c(F)c1COc1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O
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| InChI |
InChI=1S/C23H17F3N2O7S/c1-33-6-7-34-17-5-4-14(25)19(26)12(17)9-35-11-2-3-13(24)16(8-11)28-21(29)18-15(27-23(28)32)10-36-20(18)22(30)31/h2-5,8,10H,6-7,9H2,1H3,(H,27,32)(H,30,31)
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| InChIKey |
VBCUMMKWZIJEND-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