General Information of the Compound
| Compound ID |
CP0514124
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| Compound Name |
N-[(3S)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide
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| Structure |
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| Formula |
C28H25FN2O
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| Molecular Weight |
424.519
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| Canonical SMILES |
Fc1ccc2cc(CN3CC[C@@H](C3)NC(=O)c3ccccc3-c3ccccc3)ccc2c1
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| InChI |
InChI=1S/C28H25FN2O/c29-24-13-12-22-16-20(10-11-23(22)17-24)18-31-15-14-25(19-31)30-28(32)27-9-5-4-8-26(27)21-6-2-1-3-7-21/h1-13,16-17,25H,14-15,18-19H2,(H,30,32)/t25-/m0/s1
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| InChIKey |
FGPQEWJLDPWKKV-VWLOTQADSA-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