General Information of the Compound
| Compound ID |
CP0944639
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| Compound Name |
(S)-6-amino-2-((S)-2-((S)-2-amino-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido)hexanamide
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| Formula |
C26H34N6O3
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| Molecular Weight |
478.597
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C26H34N6O3/c27-13-7-6-12-22(24(29)33)31-26(35)23(15-18-16-30-21-11-5-4-10-19(18)21)32-25(34)20(28)14-17-8-2-1-3-9-17/h1-5,8-11,16,20,22-23,30H,6-7,12-15,27-28H2,(H2,29,33)(H,31,35)(H,32,34)/t20-,22-,23-/m0/s1
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| InChIKey |
CGIMJGUGCFQENM-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