General Information of the Compound
| Compound ID |
CP0453038
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| Compound Name |
11-(4-benzo[1,3]dioxol-4-ylmethyl-piperazin-1-yl)-8-chloro-5H-dibenzo[b,e][1,4]diazepine
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| Structure |
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| Formula |
C25H23ClN4O2
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| Molecular Weight |
446.938
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| Canonical SMILES |
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(Cc2cccc3OCOc23)CC1
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| InChI |
InChI=1S/C25H23ClN4O2/c26-18-8-9-21-22(14-18)28-25(19-5-1-2-6-20(19)27-21)30-12-10-29(11-13-30)15-17-4-3-7-23-24(17)32-16-31-23/h1-9,14,27H,10-13,15-16H2
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| InChIKey |
NFKQELYFWQDRFN-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: PT01005, D(2) dopamine receptor