General Information of the Compound
| Compound ID |
CP0505882
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| Compound Name |
((3R,4S)-4-(2,4-difluorophenyl)-1-propylpyrrolidin-3-yl)((3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
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| Formula |
C27H34F2N2O2
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| Molecular Weight |
456.577
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| Canonical SMILES |
CCCN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
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| InChI |
InChI=1S/C27H34F2N2O2/c1-4-12-30-16-23(22-11-10-21(28)13-25(22)29)24(17-30)26(32)31-14-18(2)27(33,19(3)15-31)20-8-6-5-7-9-20/h5-11,13,18-19,23-24,33H,4,12,14-17H2,1-3H3/t18-,19+,23-,24+,27-/m1/s1
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| InChIKey |
ISYIDHSTRCDWJP-TYWHSSOJSA-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