General Information of the Compound
| Compound ID |
CP0574805
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| Compound Name |
1'-[[5-cyclohexyl-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
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| Structure |
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| Formula |
C28H33N3O2
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| Molecular Weight |
443.591
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| Canonical SMILES |
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(ccc12)C1CCCCC1
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| InChI |
InChI=1S/C28H33N3O2/c32-17-7-6-16-30-25-13-12-21(20-8-2-1-3-9-20)18-23(25)29-26(30)19-31-24-11-5-4-10-22(24)28(14-15-28)27(31)33/h4-5,10-13,18,20,32H,1-3,6-9,14-17,19H2
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| InChIKey |
TXLPVLFIHLRCMM-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