General Information of the Compound
| Compound ID |
CP0761784
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| Compound Name |
(S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-oxo-1-(4-ureidopiperidin-1-yl)propan-2-yl)sulfamoyl)phenyl)propanamide
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| Structure |
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| Formula |
C25H34N8O5S
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| Molecular Weight |
558.665
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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(N)=O)CC2)c1
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| InChI |
InChI=1S/C25H34N8O5S/c26-10-7-22(34)30-19-5-2-6-20(15-19)39(37,38)32-21(14-16-3-1-4-17(13-16)23(27)28)24(35)33-11-8-18(9-12-33)31-25(29)36/h1-6,13,15,18,21,32H,7-12,14,26H2,(H3,27,28)(H,30,34)(H3,29,31,36)/t21-/m0/s1
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| InChIKey |
OKCWKUMPXRLIBU-NRFANRHFSA-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