General Information of the Compound
| Compound ID |
CP0461344
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| Compound Name |
2-Ethyl-1-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-butan-1-one
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| Structure |
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| Formula |
C28H38N2O
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| Molecular Weight |
418.625
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| Canonical SMILES |
CCC(CC)C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C28H38N2O/c1-3-22(4-2)28(31)30-20-26(27(21-30)25-13-9-6-10-14-25)19-29-17-15-24(16-18-29)23-11-7-5-8-12-23/h5-14,22,24,26-27H,3-4,15-21H2,1-2H3/t26-,27+/m0/s1
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| InChIKey |
GHAOJMMFGLHZBJ-RRPNLBNLSA-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