General Information of the Compound
| Compound ID |
CP0438301
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| Compound Name |
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-1-(4-methoxyphenyl)-N-methylcyclopropanecarboxamide
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| Structure |
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| Formula |
C33H38FN3O3
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| Molecular Weight |
543.683
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| Canonical SMILES |
COc1ccc(cc1)[C@@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)C(=O)N(C)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C33H38FN3O3/c1-24(38)35-32(26-7-5-4-6-8-26)17-19-37(20-18-32)23-28-21-33(28,27-11-15-30(40-3)16-12-27)31(39)36(2)22-25-9-13-29(34)14-10-25/h4-16,28H,17-23H2,1-3H3,(H,35,38)/t28-,33+/m0/s1
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| InChIKey |
PYWFDBJXAYACSN-QPQHGXMVSA-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