General Information of the Compound
| Compound ID |
CP0447421
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| Compound Name |
4-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)butanoic acid
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| Structure |
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| Formula |
C23H31N5O5S
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| Molecular Weight |
489.598
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| Canonical SMILES |
CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(=O)(=O)NCCCC(O)=O
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| InChI |
InChI=1S/C23H31N5O5S/c1-3-11-28(14-17-6-7-17)21-13-20(24-15-25-21)23(31)27-19-9-8-18(12-16(19)2)34(32,33)26-10-4-5-22(29)30/h8-9,12-13,15,17,26H,3-7,10-11,14H2,1-2H3,(H,27,31)(H,29,30)
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| InChIKey |
WALMALUYBLXSCE-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