General Information of the Compound
| Compound ID |
CP0358670
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| Compound Name |
2-{4-[(4-Amino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C19H19N7O5
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| Molecular Weight |
425.405
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| Canonical SMILES |
Nc1ncnc2ncc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc12
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| InChI |
InChI=1S/C19H19N7O5/c20-16-15-17(24-9-23-16)22-8-12(25-15)7-21-11-3-1-10(2-4-11)18(29)26-13(19(30)31)5-6-14(27)28/h1-4,8-9,13,21H,5-7H2,(H,26,29)(H,27,28)(H,30,31)(H2,20,22,23,24)
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| InChIKey |
ACWNWYYLDYBWEG-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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Table of Molecular Bioactivities Related to the Compound