General Information of the Compound
| Compound ID |
CP0251195
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| Compound Name |
((2R,3aS,12bS)-11-Chloro-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-dimethyl-amine
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| Structure |
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| Formula |
C19H20ClNO2
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| Molecular Weight |
329.827
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| Canonical SMILES |
CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
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| InChI |
InChI=1S/C19H20ClNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15+,19+/m1/s1
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| InChIKey |
RHPCETHLGGFAQB-WTANOLMUSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C