General Information of the Compound
| Compound ID |
CP0913418
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| Compound Name |
US9186360, 97
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| Formula |
C26H24F5N5O5S2
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| Molecular Weight |
645.632
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)OCn1c(-c2ccc(F)c(C(F)(F)F)c2F)cs/c1=N\C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C
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| InChI |
InChI=1S/C26H24F5N5O5S2/c1-11(2)20(32)23(39)41-10-36-15(13-5-6-14(27)18(19(13)28)26(29,30)31)9-43-24(36)33-16(37)7-12-8-42-22-17(12)21(38)34(3)25(40)35(22)4/h5-6,8-9,11,20H,7,10,32H2,1-4H3/b33-24-/t20-/m0/s1
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| InChIKey |
SHSSNEIQZDUKEK-LISNJYIYSA-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