General Information of the Compound
Compound ID |
CP0404959
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Compound Name |
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-1-(3-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 |
COc1cccc(c1)[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(26-8-5-4-6-9-26)16-18-37(19-17-32)23-28-21-33(28,27-10-7-11-30(20-27)40-3)31(39)36(2)22-25-12-14-29(34)15-13-25/h4-15,20,28H,16-19,21-23H2,1-3H3,(H,35,38)/t28-,33+/m0/s1
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InChIKey |
FQEMDHREFPEUDV-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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