General Information of the Compound
| Compound ID |
CP0318090
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| Compound Name |
(1R,7S)-4-(2,4-difluorophenyl)-1,10,10-trimethyl-3-(2-phenylethyl)-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
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| Structure |
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| Formula |
C25H26F2N2O
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| Molecular Weight |
408.492
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| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(=O)n(-c2ccc(F)cc2F)n1CCc1ccccc1
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| InChI |
InChI=1S/C25H26F2N2O/c1-24(2)18-11-13-25(24,3)22-21(18)23(30)29(20-10-9-17(26)15-19(20)27)28(22)14-12-16-7-5-4-6-8-16/h4-10,15,18H,11-14H2,1-3H3/t18-,25+/m1/s1
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| InChIKey |
VRBHXCAZZKFOKZ-CJAUYULYSA-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