General Information of the Compound
| Compound ID |
CP0412938
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| Compound Name |
(10R)-10-(methylamino)-3-[2-[2-[2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
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| Structure |
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| Formula |
C28H36N4O6
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| Molecular Weight |
524.618
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| Canonical SMILES |
CN[C@@H]1Cc2cccc3n(CCOCCOCCOCCOc4ccc5CCC(=O)Nc5c4)c(=O)n(C1)c23
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| InChI |
InChI=1S/C28H36N4O6/c1-29-22-17-21-3-2-4-25-27(21)32(19-22)28(34)31(25)9-10-35-11-12-36-13-14-37-15-16-38-23-7-5-20-6-8-26(33)30-24(20)18-23/h2-5,7,18,22,29H,6,8-17,19H2,1H3,(H,30,33)/t22-/m1/s1
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| InChIKey |
YALCLPZHBNPXEN-JOCHJYFZSA-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