General Information of the Compound
| Compound ID |
CP0464738
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| Compound Name |
6-(3,5-Bis-trifluoromethyl-benzyl)-10-p-tolyl-7,8-dihydro-6H-1,6,8a-triaza-anthracene-5,9-dione
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| Structure |
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| Formula |
C27H19F6N3O2
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| Molecular Weight |
531.456
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| Canonical SMILES |
Cc1ccc(cc1)-c1c2C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CCn2c(=O)c2ncccc12
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| InChI |
InChI=1S/C27H19F6N3O2/c1-15-4-6-17(7-5-15)21-20-3-2-8-34-22(20)24(37)36-10-9-35(25(38)23(21)36)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h2-8,11-13H,9-10,14H2,1H3
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| InChIKey |
SSWOBDWLRTXEMS-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