General Information of the Compound
| Compound ID |
CP0578585
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| Compound Name |
tert-butyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C23H31N7O4
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| Molecular Weight |
469.546
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(ccc2n1CCCNC(=O)OC(C)(C)C)C(N)=O
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| InChI |
InChI=1S/C23H31N7O4/c1-6-30-18(12-14(2)28-30)20(32)27-21-26-16-13-15(19(24)31)8-9-17(16)29(21)11-7-10-25-22(33)34-23(3,4)5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H2,24,31)(H,25,33)(H,26,27,32)
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| InChIKey |
GWDNGZGBHCYODG-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