General Information of the Compound
| Compound ID |
CP0339750
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| Compound Name |
13-propyl-4-thia-6,13-diazapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),5,8,16(20),17-heptaen-5-amine
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| Structure |
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| Formula |
C20H21N3S
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| Molecular Weight |
335.476
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| Canonical SMILES |
CCCN1CCc2cccc-3c2C1Cc1ccc2nc(N)sc2c-31
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| InChI |
InChI=1S/C20H21N3S/c1-2-9-23-10-8-12-4-3-5-14-17(12)16(23)11-13-6-7-15-19(18(13)14)24-20(21)22-15/h3-7,16H,2,8-11H2,1H3,(H2,21,22)
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| InChIKey |
OGXZFBZWKSYKCH-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7