General Information of the Compound
| Compound ID |
CP0555211
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| Compound Name |
2-(4-cyclobutyl-1,4-diazepan-1-yl)-N-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-(trifluoromethyl)phenyl]acetamide
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| Structure |
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| Formula |
C27H39F3N4O2
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| Molecular Weight |
508.629
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| Canonical SMILES |
FC(F)(F)c1cc(OC2CCN(CC2)C2CCC2)ccc1NC(=O)CN1CCCN(CC1)C1CCC1
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| InChI |
InChI=1S/C27H39F3N4O2/c28-27(29,30)24-18-23(36-22-10-14-34(15-11-22)21-6-2-7-21)8-9-25(24)31-26(35)19-32-12-3-13-33(17-16-32)20-4-1-5-20/h8-9,18,20-22H,1-7,10-17,19H2,(H,31,35)
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| InChIKey |
VYYRCXUJIFMOSM-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