General Information of the Compound
| Compound ID |
CP0386502
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| Compound Name |
(S)-4-methyl-2-(2-(5-(quinoline-8-sulfonamido)-1H-indol-1-yl)acetamido)pentanoic acid
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| Structure |
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| Formula |
C25H26N4O5S
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| Molecular Weight |
494.573
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc12)C(O)=O
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| InChI |
InChI=1S/C25H26N4O5S/c1-16(2)13-20(25(31)32)27-23(30)15-29-12-10-18-14-19(8-9-21(18)29)28-35(33,34)22-7-3-5-17-6-4-11-26-24(17)22/h3-12,14,16,20,28H,13,15H2,1-2H3,(H,27,30)(H,31,32)/t20-/m0/s1
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| InChIKey |
WGDMUSXHIZFYNM-FQEVSTJZSA-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