General Information of the Compound
| Compound ID |
CP0523409
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| Compound Name |
3-[5-(2,2-Difluorobenzo[1,3]dioxol-4-yl)-1H-benzimidazol-2-yl]-1-oxa-2-aza-spiro[4.5]dec-2-ene
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| Structure |
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| Formula |
C22H19F2N3O3
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| Molecular Weight |
411.408
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| Canonical SMILES |
FC1(F)Oc2cccc(c2O1)-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2
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| InChI |
InChI=1S/C22H19F2N3O3/c23-22(24)28-18-6-4-5-14(19(18)29-22)13-7-8-15-16(11-13)26-20(25-15)17-12-21(30-27-17)9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,25,26)
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| InChIKey |
OVPYTYNSONHSIE-UHFFFAOYSA-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