General Information of the Compound
| Compound ID |
CP0449342
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| Compound Name |
4-{2-[2-(4-fluoro-phenyl)-acetylamino]-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl}-benzoic acid
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| Structure |
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| Formula |
C37H36FN3O3
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| Molecular Weight |
589.711
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| Canonical SMILES |
CN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C37H36FN3O3/c1-36(2)16-17-37(3,4)29-21-32-27(20-28(29)36)34(23-8-10-24(11-9-23)35(43)44)40-30-19-26(14-15-31(30)41(32)5)39-33(42)18-22-6-12-25(38)13-7-22/h6-15,19-21H,16-18H2,1-5H3,(H,39,42)(H,43,44)
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| InChIKey |
QQGIFQPXDWHZNQ-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