General Information of the Compound
| Compound ID |
CP0505453
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| Compound Name |
CHEMBL429093
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| Formula |
C27H36N4O4S
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| Molecular Weight |
512.676
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C#N)CC1
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| InChI |
InChI=1S/C27H36N4O4S/c1-34-26-11-10-25(19-27(26)35-2)36(32,33)29-23-8-6-21(7-9-23)12-13-30-14-16-31(17-15-30)24-5-3-4-22(18-24)20-28/h3-5,10-11,18-19,21,23,29H,6-9,12-17H2,1-2H3/t21-,23-
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| InChIKey |
QMBLUFIVEKJLQY-AFARHQOCSA-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