General Information of the Compound
| Compound ID |
CP0373339
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| Compound Name |
4-{5-ethyl-2-[2-(4-fluoro-phenyl)-acetylamino]-7,7,10,10-tetramethyl-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 |
C38H38FN3O3
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| Molecular Weight |
603.738
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| Canonical SMILES |
CCN1c2ccc(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/C38H38FN3O3/c1-6-42-32-16-15-27(40-34(43)19-23-7-13-26(39)14-8-23)20-31(32)41-35(24-9-11-25(12-10-24)36(44)45)28-21-29-30(22-33(28)42)38(4,5)18-17-37(29,2)3/h7-16,20-22H,6,17-19H2,1-5H3,(H,40,43)(H,44,45)
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| InChIKey |
LYCNMFMZQGELCV-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