General Information of the Compound
| Compound ID |
CP0428281
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| Compound Name |
8-chloro-11-(4-methyl-piperazin-1-yl)-5-(toluene-2-sulfonyl)-5H-dibenzo[b,e][1,4]diazepine
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| Structure |
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| Formula |
C25H25ClN4O2S
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| Molecular Weight |
481.021
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(c2ccccc12)S(=O)(=O)c1ccccc1C
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| InChI |
InChI=1S/C25H25ClN4O2S/c1-18-7-3-6-10-24(18)33(31,32)30-22-9-5-4-8-20(22)25(29-15-13-28(2)14-16-29)27-21-17-19(26)11-12-23(21)30/h3-12,17H,13-16H2,1-2H3
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| InChIKey |
NJGQJPYDIXHGGF-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