General Information of the Compound
| Compound ID |
CP0421288
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| Compound Name |
2-chloro-N-{8-chloro-11-[4-(3-trifluoromethoxy-benzyl)-piperazin-1-yl]-dibenzo[b,e][1,4]diazepin-5-yl}-benzamide
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| Structure |
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| Formula |
C32H26Cl2F3N5O2
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| Molecular Weight |
640.493
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| Canonical SMILES |
FC(F)(F)Oc1cccc(CN2CCN(CC2)C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc23)c1
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| InChI |
InChI=1S/C32H26Cl2F3N5O2/c33-22-12-13-29-27(19-22)38-30(25-9-2-4-11-28(25)42(29)39-31(43)24-8-1-3-10-26(24)34)41-16-14-40(15-17-41)20-21-6-5-7-23(18-21)44-32(35,36)37/h1-13,18-19H,14-17,20H2,(H,39,43)
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| InChIKey |
QECFHDSLXZOCHC-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