General Information of the Compound
| Compound ID |
CP0944640
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| Compound Name |
(S)-6-amino-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)hexanamide
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| Structure |
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| Formula |
C26H34N6O4
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| Molecular Weight |
494.596
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C26H34N6O4/c27-12-4-3-7-22(26(36)32-23(24(29)34)13-16-8-10-18(33)11-9-16)31-25(35)20(28)14-17-15-30-21-6-2-1-5-19(17)21/h1-2,5-6,8-11,15,20,22-23,30,33H,3-4,7,12-14,27-28H2,(H2,29,34)(H,31,35)(H,32,36)/t20-,22-,23-/m0/s1
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| InChIKey |
BENDNCQXTNSRRI-PMVMPFDFSA-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