General Information of the Compound
| Compound ID |
CP0545222
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| Compound Name |
(3aR,4S,5R,7S,7aS)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide
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| Structure |
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| Formula |
C26H22F3N3O4
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| Molecular Weight |
497.473
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| Canonical SMILES |
CN(C(=O)[C@@H]1C[C@@]2(C)O[C@]1(C)[C@H]1[C@@H]2C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C26H22F3N3O4/c1-24-12-18(21(33)31(3)15-7-5-4-6-8-15)25(2,36-24)20-19(24)22(34)32(23(20)35)16-10-9-14(13-30)17(11-16)26(27,28)29/h4-11,18-20H,12H2,1-3H3/t18-,19+,20-,24-,25-/m0/s1
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| InChIKey |
YZRCADGUBDYEAU-BOWIAGTOSA-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