General Information of the Compound
| Compound ID |
CP0059527
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| Compound Name |
1-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-[[3-(2,4-dimethoxyphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]-3-cyclohexylurea
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| Structure |
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| Formula |
C36H46N6O6S
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| Molecular Weight |
690.867
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| Canonical SMILES |
COc1ccc(c(OC)c1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)NC(=O)NC1CCCCC1
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| InChI |
InChI=1S/C36H46N6O6S/c1-47-29-14-15-31(33(23-29)48-2)25-9-7-13-30(22-25)49(45,46)41-32(21-24-8-6-10-26(20-24)34(37)38)35(43)42-18-16-28(17-19-42)40-36(44)39-27-11-4-3-5-12-27/h6-10,13-15,20,22-23,27-28,32,41H,3-5,11-12,16-19,21H2,1-2H3,(H3,37,38)(H2,39,40,44)/t32-/m0/s1
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| InChIKey |
CGFVMUUUSDIEAE-YTTGMZPUSA-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