General Information of the Compound
| Compound ID |
CP0537515
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| Compound Name |
4-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C23H29N7O6
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| Molecular Weight |
499.528
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCC(O)=O)C(N)=O
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| InChI |
InChI=1S/C23H29N7O6/c1-4-30-16(10-13(2)28-30)22(35)27-23-26-15-11-14(21(24)34)12-17(36-3)20(15)29(23)9-5-8-25-18(31)6-7-19(32)33/h10-12H,4-9H2,1-3H3,(H2,24,34)(H,25,31)(H,32,33)(H,26,27,35)
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| InChIKey |
HXRHZUSKXURGAF-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