General Information of the Compound
| Compound ID |
CP0530510
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| Compound Name |
7-(3,5-Bis-trifluoromethyl-benzyl)-5-p-tolyl-7,8,9,10-tetrahydro-1,7,10a-triaza-cyclohepta[b]naphthalene-6,11-dione
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| Structure |
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| Formula |
C28H21F6N3O2
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| Molecular Weight |
545.483
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| Canonical SMILES |
Cc1ccc(cc1)-c1c2C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CCCn2c(=O)c2ncccc12
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| InChI |
InChI=1S/C28H21F6N3O2/c1-16-5-7-18(8-6-16)22-21-4-2-9-35-23(21)25(38)37-11-3-10-36(26(39)24(22)37)15-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34/h2,4-9,12-14H,3,10-11,15H2,1H3
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| InChIKey |
JWRJCBGNBMANEE-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