General Information of the Compound
| Compound ID |
CP0161427
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| Compound Name |
N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(2-fluoro-4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
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| Structure |
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| Formula |
C32H43ClFN3O3
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| Molecular Weight |
572.165
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| Canonical SMILES |
CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)cc1F)C(C)(C)C
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| InChI |
InChI=1S/C32H43ClFN3O3/c1-7-30(35-20(2)38)26-16-22(33)8-10-24(26)21-12-14-36(15-13-21)31(39)28-19-37(32(3,4)5)18-27(28)25-11-9-23(40-6)17-29(25)34/h8-11,16-17,21,27-28,30H,7,12-15,18-19H2,1-6H3,(H,35,38)/t27-,28+,30-/m0/s1
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| InChIKey |
NCLQWDCIPKHQBS-LXQNXJGFSA-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