General Information of the Compound
| Compound ID |
CP0433755
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| Compound Name |
4-[5,7,7,10,10-pentamethyl-2-(3-trifluoromethyl-benzoylamino)-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 |
C37H34F3N3O3
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| Molecular Weight |
625.691
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| Canonical SMILES |
CN1c2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C37H34F3N3O3/c1-35(2)15-16-36(3,4)28-20-31-26(19-27(28)35)32(21-9-11-22(12-10-21)34(45)46)42-29-18-25(13-14-30(29)43(31)5)41-33(44)23-7-6-8-24(17-23)37(38,39)40/h6-14,17-20H,15-16H2,1-5H3,(H,41,44)(H,45,46)
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| InChIKey |
JGKPJVJJADMAAV-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