General Information of the Compound
| Compound ID |
CP0407426
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| Compound Name |
CHEMBL2403859
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| Formula |
C26H31BrClN3O
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| Molecular Weight |
516.911
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| Canonical SMILES |
CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(Br)cc2C1
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| InChI |
InChI=1S/C26H31BrClN3O/c1-26(2,32)25-30-23-14-20(28)5-10-24(23)31(25)22-8-6-21(7-9-22)29-15-16-11-17-3-4-19(27)13-18(17)12-16/h3-5,10,13-14,16,21-22,29,32H,6-9,11-12,15H2,1-2H3/t16-,21-,22+/m0/s1
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| InChIKey |
HWJLMOLODKBEJW-WQTXXOFMSA-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