General Information of the Compound
| Compound ID |
CP0502315
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| Compound Name |
(12R)-5,6-dimethyl-13-propyl-4-oxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),5,8,16(20),17-heptaene
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| Structure |
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| Formula |
C23H25NO
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| Molecular Weight |
331.459
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| Canonical SMILES |
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2c(C)c(C)oc2c-31
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| InChI |
InChI=1S/C23H25NO/c1-4-11-24-12-10-16-6-5-7-19-21(16)20(24)13-17-8-9-18-14(2)15(3)25-23(18)22(17)19/h5-9,20H,4,10-13H2,1-3H3/t20-/m1/s1
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| InChIKey |
CQLSIMBCYSNKPJ-HXUWFJFHSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor