General Information of the Compound
| Compound ID |
CP0165224
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| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-(2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C26H25N7O8
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| Molecular Weight |
563.527
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| Canonical SMILES |
Nc1nc2ccc(CN(Cc3c[nH]c(=O)[nH]c3=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C26H25N7O8/c27-25-30-18-6-1-13(9-17(18)23(38)31-25)11-33(12-15-10-28-26(41)32-22(15)37)16-4-2-14(3-5-16)21(36)29-19(24(39)40)7-8-20(34)35/h1-6,9-10,19H,7-8,11-12H2,(H,29,36)(H,34,35)(H,39,40)(H3,27,30,31,38)(H2,28,32,37,41)
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| InChIKey |
NFGJKOGHIPZGRR-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