General Information of the Compound
| Compound ID |
CP0543771
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| Compound Name |
(2-chloro-4-fluoro-phenyl)-(7,8-dimethoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-yl)-amine
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| Structure |
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| Formula |
C19H16ClFN4O3
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| Molecular Weight |
402.813
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| Canonical SMILES |
COc1cc2CNc3c(Nc4ccc(F)cc4Cl)ncnc3Oc2cc1OC
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| InChI |
InChI=1S/C19H16ClFN4O3/c1-26-15-5-10-8-22-17-18(25-13-4-3-11(21)6-12(13)20)23-9-24-19(17)28-14(10)7-16(15)27-2/h3-7,9,22H,8H2,1-2H3,(H,23,24,25)
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| InChIKey |
KQCWEQIRGCTXLN-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