General Information of the Compound
| Compound ID |
CP0498253
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| Compound Name |
4-ethoxy-thiophene-2-carboxylic acid [8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-amide
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| Structure |
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| Formula |
C25H26ClN5O2S
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| Molecular Weight |
496.036
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| Canonical SMILES |
CCOc1csc(c1)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12
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| InChI |
InChI=1S/C25H26ClN5O2S/c1-3-33-18-15-23(34-16-18)25(32)28-31-21-7-5-4-6-19(21)24(30-12-10-29(2)11-13-30)27-20-14-17(26)8-9-22(20)31/h4-9,14-16H,3,10-13H2,1-2H3,(H,28,32)
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| InChIKey |
RHBLTDJVNDWGHH-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