General Information of the Compound
| Compound ID |
CP0422696
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| Compound Name |
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
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| Synonyms |
CHEMBL512955
YPWA-NH2
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| Structure |
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| Formula |
C28H34N6O5
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| Molecular Weight |
534.617
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C28H34N6O5/c1-16(25(30)36)32-26(37)23(14-18-15-31-22-6-3-2-5-20(18)22)33-27(38)24-7-4-12-34(24)28(39)21(29)13-17-8-10-19(35)11-9-17/h2-3,5-6,8-11,15-16,21,23-24,31,35H,4,7,12-14,29H2,1H3,(H2,30,36)(H,32,37)(H,33,38)/t16-,21-,23-,24-/m0/s1
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| InChIKey |
FMYKJNQXBIJPPV-DFQATESRSA-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