General Information of the Compound
| Compound ID |
CP0374328
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| Compound Name |
8-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-ylmethyl]-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalene-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C25H26N4O5
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| Molecular Weight |
462.506
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| Canonical SMILES |
COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
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| InChI |
InChI=1S/C25H26N4O5/c1-32-24(30)20-12-17-18(26-20)6-7-22-23(17)34-16(14-33-22)13-28-10-8-15(9-11-28)29-21-5-3-2-4-19(21)27-25(29)31/h2-7,12,15-16,26H,8-11,13-14H2,1H3,(H,27,31)
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| InChIKey |
BBLSPFIVZYOCKM-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: PT01005, D(2) dopamine receptor