General Information of the Compound
| Compound ID |
CP0482684
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| Compound Name |
CHEMBL2012609
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| Formula |
C24H25N3O3S2
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| Molecular Weight |
467.616
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1
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| InChI |
InChI=1S/C24H25N3O3S2/c28-21(29)14-16-6-8-18(9-7-16)19-10-12-20(13-11-19)22(30)25-23-26-27-24(32-23)31-15-17-4-2-1-3-5-17/h1-5,10-13,16,18H,6-9,14-15H2,(H,28,29)(H,25,26,30)/t16-,18-
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| InChIKey |
BNZJEARTEGTNRV-SAABIXHNSA-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