General Information of the Compound
| Compound ID |
CP0403315
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| Compound Name |
(E)-2-[4-(3-ethoxyimino-3-phenylpropyl)piperazin-1-yl]nicotinonitrile
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| Structure |
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| Formula |
C21H25N5O
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| Molecular Weight |
363.465
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| Canonical SMILES |
CCO\N=C(/CCN1CCN(CC1)c1ncccc1C#N)c1ccccc1
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| InChI |
InChI=1S/C21H25N5O/c1-2-27-24-20(18-7-4-3-5-8-18)10-12-25-13-15-26(16-14-25)21-19(17-22)9-6-11-23-21/h3-9,11H,2,10,12-16H2,1H3/b24-20+
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| InChIKey |
FNOGQMQARYNIFF-HIXSDJFHSA-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: PT01161, D(4) dopamine receptor