General Information of the Compound
| Compound ID |
CP0866566
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| Compound Name |
N-(Diaminomethylene)-2',3',5',6'-tetrahydrospiro[fluorene-9,4'-pyran]-2-carboxamide hydrochloride
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| Structure |
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| Formula |
C19H20ClN3O2
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| Molecular Weight |
357.841
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| Canonical SMILES |
Cl.NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2
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| InChI |
InChI=1S/C19H19N3O2.ClH/c20-18(21)22-17(23)12-5-6-14-13-3-1-2-4-15(13)19(16(14)11-12)7-9-24-10-8-19;/h1-6,11H,7-10H2,(H4,20,21,22,23);1H
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| InChIKey |
NATACNZSBHMGRV-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00941, 5-hydroxytryptamine receptor 7