General Information of the Compound
| Compound ID |
CP0470847
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| Compound Name |
4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzonitrile
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| Structure |
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| Formula |
C20H20N2O
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| Molecular Weight |
304.393
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| Canonical SMILES |
N#Cc1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1
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| InChI |
InChI=1S/C20H20N2O/c21-14-15-7-9-17(10-8-15)23-20-18-6-2-1-5-16(18)13-19(20)22-11-3-4-12-22/h1-2,5-10,19-20H,3-4,11-13H2/t19-,20-/m0/s1
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| InChIKey |
BZCPSZAQYQLOAE-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