General Information of the Compound
| Compound ID |
CP0339749
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| Compound Name |
13-propyl-7-thia-5,13-diazapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,16(20),17-heptaen-6-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 |
CCCN1CCc2cccc3-c4cc5nc(N)sc5cc4CC1c23
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| InChI |
InChI=1S/C20H21N3S/c1-2-7-23-8-6-12-4-3-5-14-15-11-16-18(24-20(21)22-16)10-13(15)9-17(23)19(12)14/h3-5,10-11,17H,2,6-9H2,1H3,(H2,21,22)
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| InChIKey |
KNULBJKHCVLGJQ-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