General Information of the Compound
| Compound ID |
CP0537516
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| Compound Name |
methyl 4-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propylamino]-4-oxobutanoate
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| Structure |
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| Formula |
C24H31N7O6
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| Molecular Weight |
513.555
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCC(=O)OC)C(N)=O
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| InChI |
InChI=1S/C24H31N7O6/c1-5-31-17(11-14(2)29-31)23(35)28-24-27-16-12-15(22(25)34)13-18(36-3)21(16)30(24)10-6-9-26-19(32)7-8-20(33)37-4/h11-13H,5-10H2,1-4H3,(H2,25,34)(H,26,32)(H,27,28,35)
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| InChIKey |
XXNIBNCVMDOODT-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