General Information of the Compound
| Compound ID |
CP0471846
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| Compound Name |
CHEMBL4242383
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| Formula |
C25H31N7O4S
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| Molecular Weight |
525.635
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| Canonical SMILES |
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)Nc1ncnc2c(Nc3ccc(cc3)S(C)(=O)=O)ncnc12
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| InChI |
InChI=1S/C25H31N7O4S/c1-25(2,3)36-24(33)32-17-7-8-18(32)12-16(11-17)31-23-21-20(26-14-29-23)22(28-13-27-21)30-15-5-9-19(10-6-15)37(4,34)35/h5-6,9-10,13-14,16-18H,7-8,11-12H2,1-4H3,(H,26,29,31)(H,27,28,30)/t16-,17+,18-
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| InChIKey |
CMRIZTPKMRPWTF-BCDXTJNWSA-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