General Information of the Compound
| Compound ID |
CP0514256
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| Compound Name |
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-(3,4-dihydroxy-phenylcarbamoyl)-butyric acid
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| Structure |
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| Formula |
C26H27N9O6
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| Molecular Weight |
561.559
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| Canonical SMILES |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)Nc1ccc(O)c(O)c1)C(O)=O
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| InChI |
InChI=1S/C26H27N9O6/c1-35(12-15-11-29-23-21(31-15)22(27)33-26(28)34-23)16-5-2-13(3-6-16)24(39)32-17(25(40)41)7-9-20(38)30-14-4-8-18(36)19(37)10-14/h2-6,8,10-11,17,36-37H,7,9,12H2,1H3,(H,30,38)(H,32,39)(H,40,41)(H4,27,28,29,33,34)
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| InChIKey |
DQPPYLOQOLLPQM-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