General Information of the Compound
| Compound ID |
CP0289007
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| Compound Name |
CHEMBL273597
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| Formula |
C25H27N5O2S
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| Molecular Weight |
461.591
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| Canonical SMILES |
Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12
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| InChI |
InChI=1S/C25H27N5O2S/c26-24-21-9-3-4-10-22(21)29-25(30-24)28-19-14-12-17(13-15-19)16-27-33(31,32)23-11-5-7-18-6-1-2-8-20(18)23/h1-11,17,19,27H,12-16H2,(H3,26,28,29,30)/t17-,19-
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| InChIKey |
UBXIONVVXZONJI-UAPYVXQJSA-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