General Information of the Compound
| Compound ID |
CP0463424
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| Compound Name |
Benzo[1,4]dioxine-2-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-cyclohexyl-ethyl}-amide
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| Structure |
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| Formula |
C33H43N7O6
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| Molecular Weight |
633.75
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)C1=COc2ccccc2O1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C33H43N7O6/c34-29(41)24(18-21-10-3-1-4-11-21)39-30(42)23(14-9-17-37-33(35)36)38-31(43)25(19-22-12-5-2-6-13-22)40-32(44)28-20-45-26-15-7-8-16-27(26)46-28/h1,3-4,7-8,10-11,15-16,20,22-25H,2,5-6,9,12-14,17-19H2,(H2,34,41)(H,38,43)(H,39,42)(H,40,44)(H4,35,36,37)/t23-,24-,25-/m0/s1
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| InChIKey |
MAKVOVAORSALJW-SDHOMARFSA-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