General Information of the Compound
| Compound ID |
CP0381719
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| Compound Name |
3-(3-chloro-4-methoxy-phenyl)-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-propionamide
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| Structure |
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| Formula |
C28H29Cl2N5O2
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| Molecular Weight |
538.479
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| Canonical SMILES |
COc1ccc(CCC(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C28H29Cl2N5O2/c1-33-13-15-34(16-14-33)28-21-5-3-4-6-24(21)35(25-10-9-20(29)18-23(25)31-28)32-27(36)12-8-19-7-11-26(37-2)22(30)17-19/h3-7,9-11,17-18H,8,12-16H2,1-2H3,(H,32,36)
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| InChIKey |
RGHKLXUPKREMAG-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