General Information of the Compound
| Compound ID |
CP0511385
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| Compound Name |
7-(3,5-Bis-trifluoromethyl-benzyl)-5-p-tolyl-7,8,9,10,11,12-hexahydro-1,7,12a-triaza-cyclonona[b]naphthalene-6,13-dione
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| Structure |
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| Formula |
C30H25F6N3O2
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| Molecular Weight |
573.537
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| Canonical SMILES |
Cc1ccc(cc1)-c1c2C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CCCCCn2c(=O)c2ncccc12
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| InChI |
InChI=1S/C30H25F6N3O2/c1-18-7-9-20(10-8-18)24-23-6-5-11-37-25(23)27(40)39-13-4-2-3-12-38(28(41)26(24)39)17-19-14-21(29(31,32)33)16-22(15-19)30(34,35)36/h5-11,14-16H,2-4,12-13,17H2,1H3
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| InChIKey |
JVOPERVUZMQBMU-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