General Information of the Compound
| Compound ID |
CP0780495
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| Compound Name |
(S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-oxo-1-(4-(2-(3-phenylureido)ethyl)piperidin-1-yl)propan-2-yl)sulfamoyl)phenyl)propanamide
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| Structure |
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| Formula |
C33H42N8O5S
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| Molecular Weight |
662.817
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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)Nc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C33H42N8O5S/c34-16-12-30(42)38-27-10-5-11-28(22-27)47(45,46)40-29(21-24-6-4-7-25(20-24)31(35)36)32(43)41-18-14-23(15-19-41)13-17-37-33(44)39-26-8-2-1-3-9-26/h1-11,20,22-23,29,40H,12-19,21,34H2,(H3,35,36)(H,38,42)(H2,37,39,44)/t29-/m0/s1
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| InChIKey |
PVMRDTCHTOMBCH-LJAQVGFWSA-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