General Information of the Compound
| Compound ID |
CP0511101
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| Compound Name |
CHEMBL17911
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| Formula |
C27H31N5O2S
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| Molecular Weight |
489.645
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| Canonical SMILES |
CN(C[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C27H31N5O2S/c1-32(35(33,34)25-12-6-8-21-7-2-3-9-22(21)25)18-20-15-13-19(14-16-20)17-29-27-30-24-11-5-4-10-23(24)26(28)31-27/h2-12,19-20H,13-18H2,1H3,(H3,28,29,30,31)/t19-,20-
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| InChIKey |
YPEAKJIPKIYAEJ-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