General Information of the Compound
| Compound ID |
CP0378840
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| Compound Name |
2-{4-[Acetyl-(2-amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C23H23N5O7
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| Molecular Weight |
481.465
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| Canonical SMILES |
CC(=O)N(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C23H23N5O7/c1-12(29)28(11-13-2-7-17-16(10-13)21(33)27-23(24)26-17)15-5-3-14(4-6-15)20(32)25-18(22(34)35)8-9-19(30)31/h2-7,10,18H,8-9,11H2,1H3,(H,25,32)(H,30,31)(H,34,35)(H3,24,26,27,33)
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| InChIKey |
YSALQHPMBKCQDP-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