General Information of the Compound
| Compound ID |
CP0516556
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| Compound Name |
CHEMBL1667943
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| Formula |
C31H26FN7OS
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| Molecular Weight |
563.662
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C31H26FN7OS/c32-24-22(12-10-19-11-13-23(36-25(19)24)18-4-2-1-3-5-18)26-27-28(33)34-14-16-39(27)29(37-26)20-6-8-21(9-7-20)30(40)38-31-35-15-17-41-31/h1-5,10-17,20-21H,6-9H2,(H2,33,34)(H,35,38,40)/t20-,21-
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| InChIKey |
SSQVCABBNKDFKK-MEMLXQNLSA-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