General Information of the Compound
| Compound ID |
CP0163000
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| Compound Name |
2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-formyl-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C22H22N6O6
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| Molecular Weight |
466.454
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| Canonical SMILES |
Nc1nc(N)c2cc(CN(C=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2n1
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| InChI |
InChI=1S/C22H22N6O6/c23-19-15-9-12(1-6-16(15)26-22(24)27-19)10-28(11-29)14-4-2-13(3-5-14)20(32)25-17(21(33)34)7-8-18(30)31/h1-6,9,11,17H,7-8,10H2,(H,25,32)(H,30,31)(H,33,34)(H4,23,24,26,27)
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| InChIKey |
WFKZHYAJLQEESN-UHFFFAOYSA-N
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| CAS |
61075-41-0
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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