General Information of the Compound
| Compound ID |
CP0428201
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
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| Synonyms |
CHEMBL455502
YGWFL-NH2
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| Structure |
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| Formula |
C37H45N7O6
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| Molecular Weight |
683.81
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C37H45N7O6/c1-22(2)16-30(34(39)47)43-36(49)31(18-23-8-4-3-5-9-23)44-37(50)32(19-25-20-40-29-11-7-6-10-27(25)29)42-33(46)21-41-35(48)28(38)17-24-12-14-26(45)15-13-24/h3-15,20,22,28,30-32,40,45H,16-19,21,38H2,1-2H3,(H2,39,47)(H,41,48)(H,42,46)(H,43,49)(H,44,50)/t28-,30-,31-,32-/m0/s1
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| InChIKey |
VGMSMMKQRJOPQL-MCEBTLFFSA-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