General Information of the Compound
| Compound ID |
CP0576420
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| Compound Name |
US9266876, 182
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| Structure |
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| Formula |
C24H27F3N8OS
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| Molecular Weight |
532.596
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccc(CN(C)C)cc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N8OS/c1-15-12-33(9-10-35(15)19(36)14-34-8-4-7-28-34)22-20(31-23(37-22)24(25,26)27)21-29-17-6-5-16(13-32(2)3)11-18(17)30-21/h4-8,11,15H,9-10,12-14H2,1-3H3,(H,29,30)/t15-/m1/s1
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| InChIKey |
AUNHAMUMKSZAES-OAHLLOKOSA-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