General Information of the Compound
| Compound ID |
CP0447259
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| Compound Name |
(10R)-10-(methylamino)-3-[12-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]dodecyl]-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 |
C32H44N4O3
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| Molecular Weight |
532.729
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| Canonical SMILES |
CN[C@@H]1Cc2cccc3n(CCCCCCCCCCCCOc4ccc5CCC(=O)Nc5c4)c(=O)n(C1)c23
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| InChI |
InChI=1S/C32H44N4O3/c1-33-26-21-25-13-12-14-29-31(25)36(23-26)32(38)35(29)19-10-8-6-4-2-3-5-7-9-11-20-39-27-17-15-24-16-18-30(37)34-28(24)22-27/h12-15,17,22,26,33H,2-11,16,18-21,23H2,1H3,(H,34,37)/t26-/m1/s1
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| InChIKey |
DNLVWUGWSPNABX-AREMUKBSSA-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