General Information of the Compound
| Compound ID |
CP0429990
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| Compound Name |
US11304929, Example 05-010
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| Structure |
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| Formula |
C26H29ClN2O6S
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| Molecular Weight |
533.046
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| Canonical SMILES |
COC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
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| InChI |
InChI=1S/C26H29ClN2O6S/c1-16-13-21(27)20-15-23(29(3)22(20)14-16)24(30)28-17(2)18-5-7-19(8-6-18)36(32,33)26(25(31)34-4)9-11-35-12-10-26/h5-8,13-15,17H,9-12H2,1-4H3,(H,28,30)/t17-/m1/s1
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| InChIKey |
XDOVEGACOQPORA-QGZVFWFLSA-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