General Information of the Compound
| Compound ID |
CP0539080
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| Compound Name |
(2S)-4-methyl-2-[[2-[5-(quinoline-4-carbonylamino)indol-1-yl]acetyl]amino]pentanoic acid
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| Structure |
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| Formula |
C26H26N4O4
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| Molecular Weight |
458.518
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2cc(NC(=O)c3ccnc4ccccc34)ccc12)C(O)=O
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| InChI |
InChI=1S/C26H26N4O4/c1-16(2)13-22(26(33)34)29-24(31)15-30-12-10-17-14-18(7-8-23(17)30)28-25(32)20-9-11-27-21-6-4-3-5-19(20)21/h3-12,14,16,22H,13,15H2,1-2H3,(H,28,32)(H,29,31)(H,33,34)/t22-/m0/s1
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| InChIKey |
KHUHNZVCIOGJOW-QFIPXVFZSA-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