General Information of the Compound
| Compound ID |
CP0904404
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| Compound Name |
N-{(3R)-1-[(6-Fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}-2-(4-phenoxycyclohexylidene)acetamide
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| Structure |
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| Formula |
C29H31FN2O2
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| Molecular Weight |
458.577
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| Canonical SMILES |
O=C(C=C1CCC(Oc2ccccc2)CC1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
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| InChI |
InChI=1S/C29H31FN2O2/c30-25-11-10-23-16-22(6-9-24(23)18-25)19-32-15-14-26(20-32)31-29(33)17-21-7-12-28(13-8-21)34-27-4-2-1-3-5-27/h1-6,9-11,16-18,26,28H,7-8,12-15,19-20H2,(H,31,33)/t26-,28?/m1/s1
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| InChIKey |
BLIXSIRUUZYDMW-HSLSYKTRSA-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