General Information of the Compound
| Compound ID |
CP0539786
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| Compound Name |
N-(diaminomethylidene)-9-methoxy-9-methylfluorene-2-carboxamide;hydrochloride
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| Structure |
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| Formula |
C17H18ClN3O2
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| Molecular Weight |
331.803
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| Canonical SMILES |
Cl.COC1(C)c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
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| InChI |
InChI=1S/C17H17N3O2.ClH/c1-17(22-2)13-6-4-3-5-11(13)12-8-7-10(9-14(12)17)15(21)20-16(18)19;/h3-9H,1-2H3,(H4,18,19,20,21);1H
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| InChIKey |
PNEDFLKBXQQWII-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