General Information of the Compound
| Compound ID |
CP0523114
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| Compound Name |
CHEMBL3091669
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| Formula |
C15H20BrNO4S
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| Molecular Weight |
390.299
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| Canonical SMILES |
[Br-].C[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)c1cccs1
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| InChI |
InChI=1S/C15H20NO4S.BrH/c1-16(2)9-6-8(7-10(16)14-13(9)20-14)19-15(18)12(17)11-4-3-5-21-11;/h3-5,8-10,12-14,17H,6-7H2,1-2H3;1H/q+1;/p-1/t8-,9+,10-,12?,13+,14-;
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| InChIKey |
BCPQEEOHCQIZRI-GPCXMOOGSA-M
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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