General Information of the Compound
| Compound ID |
CP0709771
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| Compound Name |
(S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-oxo-1-(4-(3-phenylureido)piperidin-1-yl)propan-2-yl)sulfamoyl)phenyl)propanamide
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| Structure |
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| Formula |
C31H38N8O5S
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| Molecular Weight |
634.763
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| Canonical SMILES |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C31H38N8O5S/c32-15-12-28(40)35-25-10-5-11-26(20-25)45(43,44)38-27(19-21-6-4-7-22(18-21)29(33)34)30(41)39-16-13-24(14-17-39)37-31(42)36-23-8-2-1-3-9-23/h1-11,18,20,24,27,38H,12-17,19,32H2,(H3,33,34)(H,35,40)(H2,36,37,42)/t27-/m0/s1
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| InChIKey |
BKEJUCCPDCRMPC-MHZLTWQESA-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