General Information of the Compound
| Compound ID |
CP0103814
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| Compound Name |
1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(nicotinamido)-1H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C24H28N6O3
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| Molecular Weight |
448.527
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| Canonical SMILES |
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccnc3)nc2c1
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| InChI |
InChI=1S/C24H28N6O3/c1-29(18-7-3-2-4-8-18)23(33)16-9-10-20-19(14-16)27-24(30(20)13-11-21(25)31)28-22(32)17-6-5-12-26-15-17/h5-6,9-10,12,14-15,18H,2-4,7-8,11,13H2,1H3,(H2,25,31)(H,27,28,32)
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| InChIKey |
CFPKBGQZSYJRNG-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