General Information of the Compound
| Compound ID |
CP0400845
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| Compound Name |
(S)-4-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)hexanamido)-4-oxobutanoic acid
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| Structure |
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| Formula |
C28H37N5O7
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| Molecular Weight |
555.632
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C28H37N5O7/c1-2-3-9-21(31-26(38)20(29)14-18-10-12-19(34)13-11-18)27(39)33-23(16-24(35)36)28(40)32-22(25(30)37)15-17-7-5-4-6-8-17/h4-8,10-13,20-23,34H,2-3,9,14-16,29H2,1H3,(H2,30,37)(H,31,38)(H,32,40)(H,33,39)(H,35,36)/t20-,21-,22-,23-/m0/s1
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| InChIKey |
WQLXJYHQHWSRFL-MLCQCVOFSA-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