General Information of the Compound
| Compound ID |
CP0422695
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| Compound Name |
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
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| Synonyms |
CHEMBL445690
YAWF-NH2
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| Structure |
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| Formula |
C32H36N6O5
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| Molecular Weight |
584.677
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C32H36N6O5/c1-19(36-31(42)25(33)15-21-11-13-23(39)14-12-21)30(41)38-28(17-22-18-35-26-10-6-5-9-24(22)26)32(43)37-27(29(34)40)16-20-7-3-2-4-8-20/h2-14,18-19,25,27-28,35,39H,15-17,33H2,1H3,(H2,34,40)(H,36,42)(H,37,43)(H,38,41)/t19-,25-,27-,28-/m0/s1
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| InChIKey |
AXMWRKQKSXEZPQ-VCJXGGRGSA-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