General Information of the Compound
| Compound ID |
CP0522968
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| Compound Name |
N-[8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2,3,4,5-tetrafluorobenzamide
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| Structure |
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| Formula |
C25H20ClF4N5O
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| Molecular Weight |
517.914
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2cc(F)c(F)c(F)c2F)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C25H20ClF4N5O/c1-33-8-10-34(11-9-33)24-15-12-14(26)6-7-19(15)35(20-5-3-2-4-18(20)31-24)32-25(36)16-13-17(27)22(29)23(30)21(16)28/h2-7,12-13H,8-11H2,1H3,(H,32,36)
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| InChIKey |
IYDUTHNIPZPIDW-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