General Information of the Compound
| Compound ID |
CP0393821
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| Compound Name |
2-chloro-N-{8-chloro-11-[4-(2,2-difluoro-benzo[1,3]dioxol-4-ylmethyl)-piperazin-1-yl]-dibenzo[b,e][1,4]diazepin-5-yl}-benzamide
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| Structure |
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| Formula |
C32H25Cl2F2N5O3
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| Molecular Weight |
636.486
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| Canonical SMILES |
FC1(F)Oc2cccc(CN3CCN(CC3)C3=Nc4cc(Cl)ccc4N(NC(=O)c4ccccc4Cl)c4ccccc34)c2O1
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| InChI |
InChI=1S/C32H25Cl2F2N5O3/c33-21-12-13-27-25(18-21)37-30(23-8-2-4-10-26(23)41(27)38-31(42)22-7-1-3-9-24(22)34)40-16-14-39(15-17-40)19-20-6-5-11-28-29(20)44-32(35,36)43-28/h1-13,18H,14-17,19H2,(H,38,42)
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| InChIKey |
MCISFZLVURUIGO-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