General Information of the Compound
| Compound ID |
CP0501623
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| Compound Name |
CHEMBL240273
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| Formula |
C29H34F3N5O3S
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| Molecular Weight |
589.684
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2ccc3NC(=O)CCc3c2)CC1)C#N
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| InChI |
InChI=1S/C29H34F3N5O3S/c30-29(31,32)23-15-21(19-33)16-25(18-23)37-13-11-36(12-14-37)10-9-20-1-4-24(5-2-20)35-41(39,40)26-6-7-27-22(17-26)3-8-28(38)34-27/h6-7,15-18,20,24,35H,1-5,8-14H2,(H,34,38)/t20-,24-
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| InChIKey |
HVFQVLBUJHAZFN-LSNLESRRSA-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