General Information of the Compound
| Compound ID |
CP0380077
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| Compound Name |
[(7R)-4-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C22H24F3N7O2
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| Molecular Weight |
475.475
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| Canonical SMILES |
COc1nc(ncc1C(F)(F)F)N1CC[C@@H](C)N(CC1)C(=O)c1cc(C)ccc1-n1nccn1
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| InChI |
InChI=1S/C22H24F3N7O2/c1-14-4-5-18(32-27-7-8-28-32)16(12-14)20(33)31-11-10-30(9-6-15(31)2)21-26-13-17(22(23,24)25)19(29-21)34-3/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1
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| InChIKey |
DAHNFBUGNJUTAL-OAHLLOKOSA-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