General Information of the Compound
| Compound ID |
CP0552260
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| Compound Name |
1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
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| Structure |
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| Formula |
C24H28N4O
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| Molecular Weight |
388.515
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| Canonical SMILES |
CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(CN)ccc12
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| InChI |
InChI=1S/C24H28N4O/c1-16(2)9-12-27-21-8-7-17(14-25)13-19(21)26-22(27)15-28-20-6-4-3-5-18(20)24(10-11-24)23(28)29/h3-8,13,16H,9-12,14-15,25H2,1-2H3
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| InChIKey |
BQFOWIQRJVRYBL-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