General Information of the Compound
| Compound ID |
CP0453345
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| Compound Name |
(4S)-5-[carboxymethyl(methyl)amino]-4-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H29N5O7
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| Molecular Weight |
547.568
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| Canonical SMILES |
CN(CC(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1
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| InChI |
InChI=1S/C28H29N5O7/c1-4-13-33(15-18-5-10-22-21(14-18)27(39)30-17(2)29-22)20-8-6-19(7-9-20)26(38)31-23(11-12-24(34)35)28(40)32(3)16-25(36)37/h1,5-10,14,23H,11-13,15-16H2,2-3H3,(H,31,38)(H,34,35)(H,36,37)(H,29,30,39)/t23-/m0/s1
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| InChIKey |
XIZITELEEKWRSX-QHCPKHFHSA-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