General Information of the Compound
| Compound ID |
CP0533088
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| Compound Name |
CHEMBL239847
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| Formula |
C26H36BrN3O4S
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| Molecular Weight |
566.562
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Br)cc2OC)CC1
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| InChI |
InChI=1S/C26H36BrN3O4S/c1-33-23-8-10-24(11-9-23)35(31,32)28-22-6-3-20(4-7-22)13-14-29-15-17-30(18-16-29)25-12-5-21(27)19-26(25)34-2/h5,8-12,19-20,22,28H,3-4,6-7,13-18H2,1-2H3/t20-,22-
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| InChIKey |
OWSHDISQJVVMQC-AQYVVDRMSA-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