General Information of the Compound
| Compound ID |
CP0426809
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| Compound Name |
4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyric acid
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| Structure |
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| Formula |
C26H25N9O6
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| Molecular Weight |
559.543
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| Canonical SMILES |
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccc4OCOc4c3)C(O)=O)cnc2n1
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| InChI |
InChI=1S/C26H25N9O6/c27-22-21-23(35-26(28)34-22)30-11-16(32-21)10-29-14-3-1-13(2-4-14)24(37)33-17(25(38)39)6-8-20(36)31-15-5-7-18-19(9-15)41-12-40-18/h1-5,7,9,11,17,29H,6,8,10,12H2,(H,31,36)(H,33,37)(H,38,39)(H4,27,28,30,34,35)
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| InChIKey |
HVZXLOSEEOVRQC-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