General Information of the Compound
| Compound ID |
CP0392268
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
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| Synonyms |
BDBM50260269
CHEMBL450217
WFwLL-NH2
wFwLL-NH2
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| Structure |
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| Formula |
C43H54N8O5
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| Molecular Weight |
762.956
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C43H54N8O5/c1-25(2)18-35(39(45)52)48-41(54)36(19-26(3)4)50-43(56)38(22-29-24-47-34-17-11-9-15-31(29)34)51-42(55)37(20-27-12-6-5-7-13-27)49-40(53)32(44)21-28-23-46-33-16-10-8-14-30(28)33/h5-17,23-26,32,35-38,46-47H,18-22,44H2,1-4H3,(H2,45,52)(H,48,54)(H,49,53)(H,50,56)(H,51,55)/t32-,35+,36+,37+,38-/m1/s1
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| InChIKey |
YFSSMBIPKDBQSL-CLZHSDMDSA-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