General Information of the Compound
| Compound ID |
CP0193411
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| Compound Name |
CHEMBL2315937
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| Formula |
C24H27F3N6O2S
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| Molecular Weight |
520.581
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| Canonical SMILES |
Cc1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@](O)(CC2)c2cncs2)c2cc(ccc2n1)C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N6O2S/c1-14-30-19-3-2-15(24(25,26)27)8-18(19)22(31-14)29-10-21(34)32-16-11-33(12-16)17-4-6-23(35,7-5-17)20-9-28-13-36-20/h2-3,8-9,13,16-17,35H,4-7,10-12H2,1H3,(H,32,34)(H,29,30,31)/t17-,23-
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| InChIKey |
HRPXSIUYBAAHQX-QBNMFFNISA-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