General Information of the Compound
| Compound ID |
CP0399599
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| Compound Name |
2-[(4S,5R)-9-(benzenesulfonyl)-5-(methylamino)-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraen-4-yl]ethanol
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| Structure |
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| Formula |
C19H20N2O3S
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| Molecular Weight |
356.447
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| Canonical SMILES |
CN[C@@H]1[C@@H](CCO)c2cc3ccn(c3cc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H20N2O3S/c1-20-19-15(8-10-22)16-11-13-7-9-21(18(13)12-17(16)19)25(23,24)14-5-3-2-4-6-14/h2-7,9,11-12,15,19-20,22H,8,10H2,1H3/t15-,19+/m0/s1
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| InChIKey |
HPBCFIIQRFMWKG-HNAYVOBHSA-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor