General Information of the Compound
| Compound ID |
CP0454988
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| Compound Name |
2-[4-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)butyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C29H29N3O2
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| Molecular Weight |
451.57
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| Canonical SMILES |
O=C1N(CCCCN2CCN3C(C2)c2ccccc2Cc2ccccc32)C(=O)c2ccccc12
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| InChI |
InChI=1S/C29H29N3O2/c33-28-24-12-4-5-13-25(24)29(34)32(28)16-8-7-15-30-17-18-31-26-14-6-2-10-22(26)19-21-9-1-3-11-23(21)27(31)20-30/h1-6,9-14,27H,7-8,15-20H2
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| InChIKey |
WAPXCWVANCEDGJ-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