General Information of the Compound
| Compound ID |
CP0573908
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| Compound Name |
5-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C21H21NO3
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| Molecular Weight |
335.403
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| Canonical SMILES |
O=C1OCc2cc(O[C@@H]3[C@H](Cc4ccccc34)N3CCCC3)ccc12
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| InChI |
InChI=1S/C21H21NO3/c23-21-18-8-7-16(11-15(18)13-24-21)25-20-17-6-2-1-5-14(17)12-19(20)22-9-3-4-10-22/h1-2,5-8,11,19-20H,3-4,9-10,12-13H2/t19-,20-/m0/s1
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| InChIKey |
OKFMPRBSLLTZEK-PMACEKPBSA-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