General Information of the Compound
| Compound ID |
CP0469847
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| Compound Name |
2-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)acetic acid
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| Structure |
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| Formula |
C21H27N5O5S
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| Molecular Weight |
461.544
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| Canonical SMILES |
CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(=O)(=O)NCC(O)=O
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| InChI |
InChI=1S/C21H27N5O5S/c1-3-8-26(12-15-4-5-15)19-10-18(22-13-23-19)21(29)25-17-7-6-16(9-14(17)2)32(30,31)24-11-20(27)28/h6-7,9-10,13,15,24H,3-5,8,11-12H2,1-2H3,(H,25,29)(H,27,28)
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| InChIKey |
YHNNXYPIPJSUOP-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