General Information of the Compound
| Compound ID |
CP0394523
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| Compound Name |
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C31H33N5O9
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| Molecular Weight |
619.631
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| Canonical SMILES |
CC(C[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C31H33N5O9/c1-4-13-36(16-19-5-10-23-22(15-19)28(40)33-18(3)32-23)21-8-6-20(7-9-21)27(39)35-25(14-17(2)30(42)43)29(41)34-24(31(44)45)11-12-26(37)38/h1,5-10,15,17,24-25H,11-14,16H2,2-3H3,(H,34,41)(H,35,39)(H,37,38)(H,42,43)(H,44,45)(H,32,33,40)/t17?,24-,25-/m0/s1
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| InChIKey |
HOFOUIGNMYIXNN-GSIQFNFPSA-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