General Information of the Compound
| Compound ID |
CP0480383
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| Compound Name |
N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-6-methoxybenzoyl)piperidin-4-ylidene]acetamide
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| Structure |
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| Formula |
C30H32FN3O4
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| Molecular Weight |
517.601
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| Canonical SMILES |
COc1cccc(O)c1C(=O)N1CCC(CC1)=CC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
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| InChI |
InChI=1S/C30H32FN3O4/c1-38-27-4-2-3-26(35)29(27)30(37)34-13-9-20(10-14-34)16-28(36)32-25-11-12-33(19-25)18-21-5-6-23-17-24(31)8-7-22(23)15-21/h2-8,15-17,25,35H,9-14,18-19H2,1H3,(H,32,36)/t25-/m1/s1
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| InChIKey |
POLVMCDWJGUXGJ-RUZDIDTESA-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