General Information of the Compound
| Compound ID |
CP0849759
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| Compound Name |
4-((S)-2-Hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy)-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C30H36N6O4S
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| Molecular Weight |
576.723
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| Canonical SMILES |
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(N2CCC(NC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1
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| InChI |
InChI=1S/C30H36N6O4S/c37-23(19-40-25-6-4-5-24-27(25)33-29(39)32-24)18-31-21-11-15-35(16-12-21)22-9-7-20(8-10-22)17-26-28(38)34-30(41-26)36-13-2-1-3-14-36/h4-10,17,21,23,31,37H,1-3,11-16,18-19H2,(H2,32,33,39)/b26-17-/t23-/m0/s1
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| InChIKey |
VRPNZOWTWRCSGE-ZVSVJSTQSA-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