General Information of the Compound
| Compound ID |
CP0381041
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| Compound Name |
(R)-2-Phenyl-5-(4-phenyl-piperazin-1-yl)-4,5,6,7-tetrahydro-1H-[1,3]diazepine
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| Structure |
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| Formula |
C21H26N4
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| Molecular Weight |
334.467
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| Canonical SMILES |
C1CN(CCN1[C@H]1CCNC(=NC1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C21H26N4/c1-3-7-18(8-4-1)21-22-12-11-20(17-23-21)25-15-13-24(14-16-25)19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,22,23)/t20-/m0/s1
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| InChIKey |
JCXPHDPIKCCHEL-FQEVSTJZSA-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
Protein ID: PT01161, D(4) dopamine receptor