General Information of the Compound
| Compound ID |
CP0538627
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| Compound Name |
N—((R)-2-((R)-2-(((2-(2-(Methylthio)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzo[d]oxazol-4-yl)oxy)methyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C30H26N6O4S3
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| Molecular Weight |
630.777
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1nc2c(OC[C@H]3CCCN3C(=O)[C@H](NC(=O)c3cccs3)c3ccccc3)cccc2o1
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| InChI |
InChI=1S/C30H26N6O4S3/c1-41-30-34-36-16-20(31-29(36)43-30)27-33-25-21(11-5-12-22(25)40-27)39-17-19-10-6-14-35(19)28(38)24(18-8-3-2-4-9-18)32-26(37)23-13-7-15-42-23/h2-5,7-9,11-13,15-16,19,24H,6,10,14,17H2,1H3,(H,32,37)/t19-,24-/m1/s1
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| InChIKey |
RGPTXWYIHPATFG-NTKDMRAZSA-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