General Information of the Compound
| Compound ID |
CP0075513
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| Compound Name |
2-amino-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-6-methyl-benzamide
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| Structure |
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| Formula |
C26H27ClN6O
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| Molecular Weight |
474.996
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2N)c2ccccc12
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| InChI |
InChI=1S/C26H27ClN6O/c1-17-6-5-8-20(28)24(17)26(34)30-33-22-9-4-3-7-19(22)25(32-14-12-31(2)13-15-32)29-21-16-18(27)10-11-23(21)33/h3-11,16H,12-15,28H2,1-2H3,(H,30,34)
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| InChIKey |
SINCAXCRAGCJEY-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