General Information of the Compound
| Compound ID |
CP0932642
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| Compound Name |
N'-(5-{4-[4-((S)-2-Hydroxy-3-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 |
C27H34N6O3S
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| Molecular Weight |
522.675
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| Canonical SMILES |
CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1
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| InChI |
InChI=1S/C27H34N6O3S/c1-32(2)26(28)31-27-30-25(35)24(37-27)16-19-8-10-21(11-9-19)33-14-12-20(13-15-33)29-17-22(34)18-36-23-6-4-3-5-7-23/h3-11,16,20,22,29,34H,12-15,17-18H2,1-2H3,(H2,28,30,31,35)/b24-16-/t22-/m0/s1
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| InChIKey |
UUTHENLTOKIXHL-ZKFYFQMZSA-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