General Information of the Compound
| Compound ID |
CP0466962
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| Compound Name |
(2R,8S)-12-(benzenesulfonyl)-5,12-diazatetracyclo[7.7.0.02,8.011,15]hexadeca-1(9),10,13,15-tetraene
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| Structure |
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| Formula |
C20H20N2O2S
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| Molecular Weight |
352.459
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2cc3[C@@H]4CCNCC[C@@H]4c3cc12
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| InChI |
InChI=1S/C20H20N2O2S/c23-25(24,15-4-2-1-3-5-15)22-11-8-14-12-18-16-6-9-21-10-7-17(16)19(18)13-20(14)22/h1-5,8,11-13,16-17,21H,6-7,9-10H2/t16-,17+/m1/s1
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| InChIKey |
JGHVVBYUGZXQJW-SJORKVTESA-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