General Information of the Compound
| Compound ID |
CP0436902
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| Compound Name |
4-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-butyl]-piperidin-4-yl}-3H-benzooxazol-2-one
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| Structure |
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| Formula |
C24H27N3O5S
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| Molecular Weight |
469.563
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| Canonical SMILES |
Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12
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| InChI |
InChI=1S/C24H27N3O5S/c1-17-7-6-9-20-22(17)27(24(29)32-20)18-11-15-25(16-12-18)13-4-5-14-26-23(28)19-8-2-3-10-21(19)33(26,30)31/h2-3,6-10,18H,4-5,11-16H2,1H3
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| InChIKey |
JOAYDGACBFIMIA-UHFFFAOYSA-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor