General Information of the Compound
| Compound ID |
CP0738912
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| Compound Name |
2-(4-{[2-(1-Naphthyloxy)ethyl]amino}butyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione hydrochloride
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| Structure |
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| Formula |
C22H28ClN3O3
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| Molecular Weight |
417.937
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| Canonical SMILES |
Cl.O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc2ccccc12
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| InChI |
InChI=1S/C22H27N3O3.ClH/c26-21-19-10-6-15-24(19)22(27)25(21)14-4-3-12-23-13-16-28-20-11-5-8-17-7-1-2-9-18(17)20;/h1-2,5,7-9,11,19,23H,3-4,6,10,12-16H2;1H
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| InChIKey |
GCZVENXNJHQNJN-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