General Information of the Compound
| Compound ID |
CP0505333
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| Compound Name |
CHEMBL278881
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| Formula |
C27H31N5O2S
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| Molecular Weight |
489.645
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| Canonical SMILES |
Nc1nc(NCC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12
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| InChI |
InChI=1S/C27H31N5O2S/c28-26-23-9-3-4-10-24(23)31-27(32-26)29-17-16-19-12-14-20(15-13-19)18-30-35(33,34)25-11-5-7-21-6-1-2-8-22(21)25/h1-11,19-20,30H,12-18H2,(H3,28,29,31,32)/t19-,20-
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| InChIKey |
BZFSXCDMICUCTC-MXVIHJGJSA-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