General Information of the Compound
| Compound ID |
CP0535486
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| Compound Name |
CHEMBL299742
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| Formula |
C34H39N3O5S2
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| Molecular Weight |
633.836
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C34H39N3O5S2/c1-25-11-18-31(19-12-25)44(41,42)37-33(21-26-7-3-2-4-8-26)34(38)35-23-27-13-15-28(16-14-27)24-36-43(39,40)32-20-17-29-9-5-6-10-30(29)22-32/h2-12,17-20,22,27-28,33,36-37H,13-16,21,23-24H2,1H3,(H,35,38)/t27-,28-,33?
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| InChIKey |
DDOZGUWAGBCMFE-JZYBSMQLSA-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