General Information of the Compound
| Compound ID |
CP0448278
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| Compound Name |
4-Benzylcarbamoyl-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyric acid
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| Structure |
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| Formula |
C26H27N9O4
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| Molecular Weight |
529.561
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| Canonical SMILES |
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NCc3ccccc3)C(O)=O)cnc2n1
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| InChI |
InChI=1S/C26H27N9O4/c27-22-21-23(35-26(28)34-22)31-14-18(32-21)13-29-17-8-6-16(7-9-17)24(37)33-19(25(38)39)10-11-20(36)30-12-15-4-2-1-3-5-15/h1-9,14,19,29H,10-13H2,(H,30,36)(H,33,37)(H,38,39)(H4,27,28,31,34,35)
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| InChIKey |
FCPCBRYTQPUXKA-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