General Information of the Compound
| Compound ID |
CP0401363
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| Compound Name |
1-benzyl-N-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl-methylamino]-2-oxoethyl]-N-ethylbenzimidazole-2-carboxamide
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| Structure |
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| Formula |
C30H32N6O2
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| Molecular Weight |
508.626
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| Canonical SMILES |
CCN(CC(=O)N(C)Cc1ccc(cc1)C1=NCCN1)C(=O)c1nc2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C30H32N6O2/c1-3-35(21-27(37)34(2)19-23-13-15-24(16-14-23)28-31-17-18-32-28)30(38)29-33-25-11-7-8-12-26(25)36(29)20-22-9-5-4-6-10-22/h4-16H,3,17-21H2,1-2H3,(H,31,32)
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| InChIKey |
IVAABIRXQVPZLC-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