General Information of the Compound
| Compound ID |
CP0524633
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| Compound Name |
furan-3-yl-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C27H30N2O2
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| Molecular Weight |
414.549
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| Canonical SMILES |
O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccoc1
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| InChI |
InChI=1S/C27H30N2O2/c30-27(24-13-16-31-20-24)29-18-25(26(19-29)23-9-5-2-6-10-23)17-28-14-11-22(12-15-28)21-7-3-1-4-8-21/h1-10,13,16,20,22,25-26H,11-12,14-15,17-19H2/t25-,26+/m0/s1
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| InChIKey |
KZKYZZKICCXPDX-IZZNHLLZSA-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