General Information of the Compound
| Compound ID |
CP0470846
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| Compound Name |
1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
Cn1ccn(-c2cccc(O[C@@H]3[C@H](Cc4ccccc34)N3CCCC3)c2)c1=O
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| InChI |
InChI=1S/C23H25N3O2/c1-24-13-14-26(23(24)27)18-8-6-9-19(16-18)28-22-20-10-3-2-7-17(20)15-21(22)25-11-4-5-12-25/h2-3,6-10,13-14,16,21-22H,4-5,11-12,15H2,1H3/t21-,22-/m0/s1
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| InChIKey |
WXVVDXXTEDOABO-VXKWHMMOSA-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