General Information of the Compound
| Compound ID |
CP0460988
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| Compound Name |
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
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| Structure |
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| Formula |
C32H35N5O9
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| Molecular Weight |
633.658
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| Canonical SMILES |
CN([C@@H](CCC(O)=O)C(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O
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| InChI |
InChI=1S/C32H35N5O9/c1-5-14-37(17-21-16-23-25(15-18(21)2)33-19(3)34-30(23)43)22-8-6-20(7-9-22)29(42)35-24(10-12-27(38)39)31(44)36(4)26(32(45)46)11-13-28(40)41/h1,6-9,15-16,24,26H,10-14,17H2,2-4H3,(H,35,42)(H,38,39)(H,40,41)(H,45,46)(H,33,34,43)/t24-,26-/m0/s1
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| InChIKey |
XSSUISSUYJDPPA-AHWVRZQESA-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