General Information of the Compound
| Compound ID |
CP0421458
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| Compound Name |
2-[1-(4-Fluorobenzoyl)piperidin-4-ylidene]-N-{(3R)-1-[(6-fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}acetamide
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| Structure |
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| Formula |
C29H29F2N3O2
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| Molecular Weight |
489.566
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N1CCC(CC1)=CC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
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| InChI |
InChI=1S/C29H29F2N3O2/c30-25-6-3-22(4-7-25)29(36)34-13-9-20(10-14-34)16-28(35)32-27-11-12-33(19-27)18-21-1-2-24-17-26(31)8-5-23(24)15-21/h1-8,15-17,27H,9-14,18-19H2,(H,32,35)/t27-/m1/s1
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| InChIKey |
LDJORPVZQXTWCA-HHHXNRCGSA-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