General Information of the Compound
| Compound ID |
CP0514593
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| Compound Name |
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-(3,4-dihydroxy-phenylcarbamoyl)-butyric acid
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| Structure |
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| Formula |
C25H25N9O6
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| Molecular Weight |
547.532
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| Canonical SMILES |
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccc(O)c(O)c3)C(O)=O)cnc2n1
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| InChI |
InChI=1S/C25H25N9O6/c26-21-20-22(34-25(27)33-21)29-11-15(31-20)10-28-13-3-1-12(2-4-13)23(38)32-16(24(39)40)6-8-19(37)30-14-5-7-17(35)18(36)9-14/h1-5,7,9,11,16,28,35-36H,6,8,10H2,(H,30,37)(H,32,38)(H,39,40)(H4,26,27,29,33,34)
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| InChIKey |
ISFGNOQUBWNCOB-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