General Information of the Compound
| Compound ID |
CP0090447
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| Compound Name |
N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-ylidene]acetamide
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| Structure |
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| Formula |
C30H32FN3O3
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| Molecular Weight |
501.602
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| Canonical SMILES |
Cc1ccc(C(=O)N2CCC(CC2)=CC(=O)N[C@@H]2CCN(Cc3ccc4cc(F)ccc4c3)C2)c(O)c1
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| InChI |
InChI=1S/C30H32FN3O3/c1-20-2-7-27(28(35)14-20)30(37)34-12-8-21(9-13-34)16-29(36)32-26-10-11-33(19-26)18-22-3-4-24-17-25(31)6-5-23(24)15-22/h2-7,14-17,26,35H,8-13,18-19H2,1H3,(H,32,36)/t26-/m1/s1
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| InChIKey |
YRRCANFVAJKRKS-AREMUKBSSA-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