General Information of the Compound
| Compound ID |
CP0455926
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| Compound Name |
N-[4-[methyl-[(10R)-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-10-yl]amino]butyl]-9H-fluorene-2-carboxamide
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| Structure |
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| Formula |
C29H30N4O2
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| Molecular Weight |
466.585
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| Canonical SMILES |
CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
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| InChI |
InChI=1S/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/m1/s1
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| InChIKey |
OJVDNCHTCHUSCE-HSZRJFAPSA-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
Cell-based Assay
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay