General Information of the Compound
| Compound ID |
CP0430762
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| Compound Name |
CHEMBL2012620
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| Formula |
C26H28FN3O3S
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| Molecular Weight |
481.593
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCCc2ccc(F)cc2)s1
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| InChI |
InChI=1S/C26H28FN3O3S/c27-22-14-6-17(7-15-22)2-1-3-23-29-30-26(34-23)28-25(33)21-12-10-20(11-13-21)19-8-4-18(5-9-19)16-24(31)32/h6-7,10-15,18-19H,1-5,8-9,16H2,(H,31,32)(H,28,30,33)/t18-,19-
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| InChIKey |
RHDSRTWMNQPWDV-WGSAOQKQSA-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