General Information of the Compound
| Compound ID |
CP0408233
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| Compound Name |
8-chloro-11-ethyl-3-fluoro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine
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| Structure |
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| Formula |
C20H22ClFN4
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| Molecular Weight |
372.875
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| Canonical SMILES |
CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3
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| InChIKey |
NQBRFDSRSGHBBK-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: PT01042, Serine/threonine-protein kinase PAK 1
Protein ID: PT01573, Serine/threonine-protein kinase PAK 2
Protein ID: PT01076, Serine/threonine-protein kinase PAK 3
Protein ID: PT01317, Serine/threonine-protein kinase PAK 4
Protein ID: PT01413, Serine/threonine-protein kinase PAK 6