General Information of the Compound
| Compound ID |
CP0260606
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| Compound Name |
(2S)-2-[[4-[[2,4-diamino-5-(4-methylphenyl)sulfonyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C28H33N7O7S
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| Molecular Weight |
611.681
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| Canonical SMILES |
CN(CC1CCc2nc(N)nc(N)c2N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C28H33N7O7S/c1-16-3-10-20(11-4-16)43(41,42)35-19(9-12-21-24(35)25(29)33-28(30)32-21)15-34(2)18-7-5-17(6-8-18)26(38)31-22(27(39)40)13-14-23(36)37/h3-8,10-11,19,22H,9,12-15H2,1-2H3,(H,31,38)(H,36,37)(H,39,40)(H4,29,30,32,33)/t19?,22-/m0/s1
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| InChIKey |
JMOWMSBWWOKCKJ-BPARTEKVSA-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