General Information of the Compound
| Compound ID |
CP0419966
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| Compound Name |
US9969687, Compound 160
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| Structure |
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| Formula |
C25H25N3O4S
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| Molecular Weight |
463.559
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| Canonical SMILES |
Cc1ccc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c2C(=O)N(Cc3cccnc3)C(=O)c12
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| InChI |
InChI=1S/C25H25N3O4S/c1-16-7-12-20(27-33(31,32)19-10-8-18(9-11-19)25(2,3)4)22-21(16)23(29)28(24(22)30)15-17-6-5-13-26-14-17/h5-14,27H,15H2,1-4H3
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| InChIKey |
RMJCEGLNPZWTPU-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