General Information of the Compound
| Compound ID |
CP0397771
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-9-oxofluorene-4-carboxamide
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| Structure |
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| Formula |
C30H33N3O3
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| Molecular Weight |
483.612
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| Canonical SMILES |
COc1ccccc1N1CCCN(CCCCNC(=O)c2cccc3C(=O)c4ccccc4-c23)CC1
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| InChI |
InChI=1S/C30H33N3O3/c1-36-27-15-5-4-14-26(27)33-19-9-18-32(20-21-33)17-7-6-16-31-30(35)25-13-8-12-24-28(25)22-10-2-3-11-23(22)29(24)34/h2-5,8,10-15H,6-7,9,16-21H2,1H3,(H,31,35)
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| InChIKey |
MWNMVEFIIAOCJG-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
Protein ID: PT01161, D(4) dopamine receptor