General Information of the Compound
Compound ID |
CP0953929
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Compound Name |
1-ethyl-2-(9-hydroxy-9H-fluoren-9-yl)-N-(2-hydroxypropyl)-1H-benzo[d]imidazole-6-carboxamide
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Structure |
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Formula |
C26H25N3O3
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Molecular Weight |
427.504
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Canonical SMILES |
CCn1c(C2(O)c3ccccc3-c3ccccc32)nc2ccc(C(=O)NCC(C)O)cc21
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InChI |
InChI=1S/C26H25N3O3/c1-3-29-23-14-17(24(31)27-15-16(2)30)12-13-22(23)28-25(29)26(32)20-10-6-4-8-18(20)19-9-5-7-11-21(19)26/h4-14,16,30,32H,3,15H2,1-2H3,(H,27,31)
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InChIKey |
XHGPNWWSGLTRPE-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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