General Information of the Compound
| Compound ID |
CP0441562
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| Compound Name |
2-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C23H23N7O5
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| Molecular Weight |
477.481
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| Canonical SMILES |
Nc1nc(N)c2nc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2n1
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| InChI |
InChI=1S/C23H23N7O5/c1-2-11-30(12-14-5-8-16-19(26-14)20(24)29-23(25)28-16)15-6-3-13(4-7-15)21(33)27-17(22(34)35)9-10-18(31)32/h1,3-8,17H,9-12H2,(H,27,33)(H,31,32)(H,34,35)(H4,24,25,28,29)
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| InChIKey |
BENQBSMZDBRXTO-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