General Information of the Compound
| Compound ID |
CP0441585
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| Compound Name |
8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl)-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalene-2-carboxylic acid benzyl ester
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| Structure |
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| Formula |
C32H32N4O5
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| Molecular Weight |
552.631
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| Canonical SMILES |
O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
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| InChI |
InChI=1S/C32H32N4O5/c37-30(40-19-22-7-3-1-4-8-22)27-17-25-26(34-27)11-12-28-29(25)41-24(20-39-28)18-35-15-13-32(14-16-35)31(38)33-21-36(32)23-9-5-2-6-10-23/h1-12,17,24,34H,13-16,18-21H2,(H,33,38)
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| InChIKey |
DQQCWQGYIUCCKR-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