General Information of the Compound
| Compound ID |
CP0537157
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| Compound Name |
CHEMBL2012624
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| Formula |
C25H27N3O3S
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| Molecular Weight |
449.576
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| Canonical SMILES |
OC(=O)CC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1
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| InChI |
InChI=1S/C25H27N3O3S/c29-23(30)15-8-17-6-9-19(10-7-17)20-11-13-21(14-12-20)24(31)26-25-28-27-22(32-25)16-18-4-2-1-3-5-18/h1-5,11-14,17,19H,6-10,15-16H2,(H,29,30)(H,26,28,31)/t17-,19-
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| InChIKey |
RNYGFEGZBADINC-UAPYVXQJSA-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