General Information of the Compound
| Compound ID |
CP0513759
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| Compound Name |
2-[4-(4-benzhydryl-1,4-diazepan-1-yl)butyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C30H33N3O2
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| Molecular Weight |
467.613
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| Canonical SMILES |
O=C1N(CCCCN2CCCN(CC2)C(c2ccccc2)c2ccccc2)C(=O)c2ccccc12
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| InChI |
InChI=1S/C30H33N3O2/c34-29-26-16-7-8-17-27(26)30(35)33(29)21-10-9-18-31-19-11-20-32(23-22-31)28(24-12-3-1-4-13-24)25-14-5-2-6-15-25/h1-8,12-17,28H,9-11,18-23H2
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| InChIKey |
CZRAUIZNVBALPQ-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