General Information of the Compound
| Compound ID |
CP0400125
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| Compound Name |
CHEMBL2012610
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| Formula |
C24H25N3O4S
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| Molecular Weight |
451.548
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccccc2)s1
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| InChI |
InChI=1S/C24H25N3O4S/c28-22(29)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)23(30)25-24-27-26-21(32-24)15-31-20-4-2-1-3-5-20/h1-5,10-13,16-17H,6-9,14-15H2,(H,28,29)(H,25,27,30)/t16-,17-
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| InChIKey |
YDJRWVRSKQGNRJ-QAQDUYKDSA-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