General Information of the Compound
| Compound ID |
CP0559195
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| Compound Name |
US11304929, Example 05-003
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| Structure |
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| Formula |
C25H29ClN2O5S
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| Molecular Weight |
505.036
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| Canonical SMILES |
CCOC(=O)C(C)(C)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
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| InChI |
InChI=1S/C25H29ClN2O5S/c1-7-33-24(30)25(4,5)34(31,32)18-10-8-17(9-11-18)16(3)27-23(29)22-14-19-20(26)12-15(2)13-21(19)28(22)6/h8-14,16H,7H2,1-6H3,(H,27,29)/t16-/m1/s1
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| InChIKey |
GZTBIHKOACDZKW-MRXNPFEDSA-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