General Information of the Compound
| Compound ID |
CP0393822
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| Compound Name |
2-chloro-N-{8-chloro-11-[4-(2,4-difluoro-benzyl)-piperazin-1-yl]-dibenzo[b,e][1,4]diazepin-5-yl}-benzamide
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| Structure |
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| Formula |
C31H25Cl2F2N5O
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| Molecular Weight |
592.477
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| Canonical SMILES |
Fc1ccc(CN2CCN(CC2)C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc23)c(F)c1
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| InChI |
InChI=1S/C31H25Cl2F2N5O/c32-21-10-12-29-27(17-21)36-30(39-15-13-38(14-16-39)19-20-9-11-22(34)18-26(20)35)24-6-2-4-8-28(24)40(29)37-31(41)23-5-1-3-7-25(23)33/h1-12,17-18H,13-16,19H2,(H,37,41)
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| InChIKey |
FGBFGXKWQQAZRR-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