General Information of the Compound
| Compound ID |
CP0659825
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| Compound Name |
(S)-3-amino-N-(3-(N-(1-(4-(2-(3-benzylureido)ethyl)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)phenyl)propanamide
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| Structure |
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| Formula |
C34H44N8O5S
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| Molecular Weight |
676.844
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| Canonical SMILES |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(=O)NCc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C34H44N8O5S/c35-16-12-31(43)40-28-10-5-11-29(22-28)48(46,47)41-30(21-26-8-4-9-27(20-26)32(36)37)33(44)42-18-14-24(15-19-42)13-17-38-34(45)39-23-25-6-2-1-3-7-25/h1-11,20,22,24,30,41H,12-19,21,23,35H2,(H3,36,37)(H,40,43)(H2,38,39,45)/t30-/m0/s1
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| InChIKey |
MSPLGPWDOPYNDZ-PMERELPUSA-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