General Information of the Compound
| Compound ID |
CP0427967
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| Compound Name |
N-[4-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)butyl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C28H37N3O
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| Molecular Weight |
431.624
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| Canonical SMILES |
O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)C1CCCCC1
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| InChI |
InChI=1S/C28H37N3O/c32-28(22-10-2-1-3-11-22)29-16-8-9-17-30-18-19-31-26-15-7-5-13-24(26)20-23-12-4-6-14-25(23)27(31)21-30/h4-7,12-15,22,27H,1-3,8-11,16-21H2,(H,29,32)
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| InChIKey |
ICQQTHRTTLKFKA-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