General Information of the Compound
| Compound ID |
CP0916906
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| Compound Name |
N'-[5-(4-{4-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-piperidin-1-yl}-benzylidene)-4-oxo-4,5-dihydro-thiazol-2-yl]-N,N-dimethyl-guanidine
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| Structure |
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| Formula |
C27H34N6O4S
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| Molecular Weight |
538.674
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| Canonical SMILES |
CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1
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| InChI |
InChI=1S/C27H34N6O4S/c1-32(2)26(28)31-27-30-25(36)24(38-27)15-18-3-5-20(6-4-18)33-13-11-19(12-14-33)29-16-22(35)17-37-23-9-7-21(34)8-10-23/h3-10,15,19,22,29,34-35H,11-14,16-17H2,1-2H3,(H2,28,30,31,36)/b24-15-/t22-/m0/s1
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| InChIKey |
WYEDYMVEMZLAMY-IOOSODASSA-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