General Information of the Compound
| Compound ID |
CP0522403
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| Compound Name |
N-[1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C33H36N4O3S
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| Molecular Weight |
568.743
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| Canonical SMILES |
NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC(=O)c2cc3ccccc3s2)cc1
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| InChI |
InChI=1S/C33H36N4O3S/c34-21-24-13-15-25(16-14-24)22-35-30(38)27(19-23-9-3-1-4-10-23)36-32(40)33(17-7-2-8-18-33)37-31(39)29-20-26-11-5-6-12-28(26)41-29/h1,3-6,9-16,20,27H,2,7-8,17-19,21-22,34H2,(H,35,38)(H,36,40)(H,37,39)/t27-/m0/s1
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| InChIKey |
FOIUYRXJPIZTNN-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