General Information of the Compound
| Compound ID |
CP0853882
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| Compound Name |
1-(2-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)ethyl)-3-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)urea
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| Structure |
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| Formula |
C22H26ClF3N4O6
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| Molecular Weight |
534.919
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| Canonical SMILES |
O=C(NCCN1CCC(O)(c2ccc(Cl)cc2)CC1)NCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C20H25ClN4O4.C2HF3O2/c21-16-3-1-15(2-4-16)20(29)7-11-24(12-8-20)13-9-22-19(28)23-10-14-25-17(26)5-6-18(25)27;3-2(4,5)1(6)7/h1-6,29H,7-14H2,(H2,22,23,28);(H,6,7)
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| InChIKey |
JGGMNRZCHQUWQB-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor