General Information of the Compound
| Compound ID |
CP0458868
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| Compound Name |
5-(2-Chloro-acetylamino)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanoic acid
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| Structure |
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| Formula |
C22H26ClN9O4
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| Molecular Weight |
515.962
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| Canonical SMILES |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)CCl)C(O)=O
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| InChI |
InChI=1S/C22H26ClN9O4/c1-32(11-13-10-27-19-17(28-13)18(24)30-22(25)31-19)14-6-4-12(5-7-14)20(34)29-15(21(35)36)3-2-8-26-16(33)9-23/h4-7,10,15H,2-3,8-9,11H2,1H3,(H,26,33)(H,29,34)(H,35,36)(H4,24,25,27,30,31)
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| InChIKey |
DYKMAWUJPLYJRO-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