General Information of the Compound
| Compound ID |
CP0502173
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| Compound Name |
8-Chloro-11-{4-[4-(3-piperidin-1-yl-propoxy)-benzyl]-piperazin-1-yl}-5H-dibenzo[b,e][1,4]diazepine
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| Structure |
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| Formula |
C32H38ClN5O
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| Molecular Weight |
544.143
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| Canonical SMILES |
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
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| InChI |
InChI=1S/C32H38ClN5O/c33-26-11-14-30-31(23-26)35-32(28-7-2-3-8-29(28)34-30)38-20-18-37(19-21-38)24-25-9-12-27(13-10-25)39-22-6-17-36-15-4-1-5-16-36/h2-3,7-14,23,34H,1,4-6,15-22,24H2
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| InChIKey |
CILDROBPHGWMGB-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor