General Information of the Compound
| Compound ID |
CP0520870
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| Compound Name |
US9493412, 172
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| Formula |
C25H28N2O5S
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| Molecular Weight |
468.575
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| Canonical SMILES |
OC1=C(CN(CCS(=O)(=O)c2ccccc2)C1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C25H28N2O5S/c28-23-22(17-27(25(23)30)15-16-33(31,32)21-9-5-2-6-10-21)24(29)26-20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1-10,19-20,28H,11-17H2,(H,26,29)/t19-,20+
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| InChIKey |
ZQEUEIRDBFSMLD-BGYRXZFFSA-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