General Information of the Compound
| Compound ID |
CP0392877
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| Compound Name |
11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaene-12-carboxylic acid
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(O)=O
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| InChI |
InChI=1S/C21H22N2O2/c1-23-11-10-14-6-2-3-7-15(14)12-19-17(13-20(23)21(24)25)16-8-4-5-9-18(16)22-19/h2-9,20,22H,10-13H2,1H3,(H,24,25)
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| InChIKey |
NUVPQYAINAPNNB-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor