General Information of the Compound
| Compound ID |
CP0375045
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| Compound Name |
8-(4-Carbamoyl-4-phenylamino-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 |
C25H28N4O5
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| Molecular Weight |
464.522
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| Canonical SMILES |
COC(=O)c1cc2c3OC(CN4CCC(CC4)(Nc4ccccc4)C(N)=O)COc3ccc2[nH]1
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| InChI |
InChI=1S/C25H28N4O5/c1-32-23(30)20-13-18-19(27-20)7-8-21-22(18)34-17(15-33-21)14-29-11-9-25(10-12-29,24(26)31)28-16-5-3-2-4-6-16/h2-8,13,17,27-28H,9-12,14-15H2,1H3,(H2,26,31)
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| InChIKey |
TZWWOCFOYDRGRO-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