General Information of the Compound
| Compound ID |
CP0507817
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| Compound Name |
N-[2-[(2S)-2-amino-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-hydroxyphenyl]acetamide
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| Structure |
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| Formula |
C23H28FN3O4
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| Molecular Weight |
429.492
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| Canonical SMILES |
CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(Cc3cc(F)ccc3O2)CC1
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| InChI |
InChI=1S/C23H28FN3O4/c1-15(28)26-20-4-3-19(29)11-22(20)30-14-18(25)13-27-8-6-23(7-9-27)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,18,29H,6-9,12-14,25H2,1H3,(H,26,28)/t18-/m0/s1
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| InChIKey |
UWEYNQXFNSDIPC-SFHVURJKSA-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