General Information of the Compound
| Compound ID |
CP0422694
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| Compound Name |
(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanamide
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| Synonyms |
CHEMBL504973
YGGWL-NH2
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| Structure |
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| Formula |
C30H39N7O6
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| Molecular Weight |
593.685
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C30H39N7O6/c1-17(2)11-24(28(32)41)37-30(43)25(13-19-14-33-23-6-4-3-5-21(19)23)36-27(40)16-34-26(39)15-35-29(42)22(31)12-18-7-9-20(38)10-8-18/h3-10,14,17,22,24-25,33,38H,11-13,15-16,31H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42)(H,36,40)(H,37,43)/t22-,24-,25-/m0/s1
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| InChIKey |
GNLQCAGQAYEHAM-HVCNVCAESA-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
Clinical Information about the Compound