General Information of the Compound
| Compound ID |
CP0439809
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| Compound Name |
(E)-N-[4-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)butyl]-3-phenylprop-2-enamide
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| Structure |
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| Formula |
C30H33N3O
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| Molecular Weight |
451.614
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| Canonical SMILES |
O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)\C=C\c1ccccc1
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| InChI |
InChI=1S/C30H33N3O/c34-30(17-16-24-10-2-1-3-11-24)31-18-8-9-19-32-20-21-33-28-15-7-5-13-26(28)22-25-12-4-6-14-27(25)29(33)23-32/h1-7,10-17,29H,8-9,18-23H2,(H,31,34)/b17-16+
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| InChIKey |
NQOBWBPQVJMZSQ-WUKNDPDISA-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