General Information of the Compound
| Compound ID |
CP0494880
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| Compound Name |
US9266876, 234
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| Structure |
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| Formula |
C24H24F3N11OS
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| Molecular Weight |
571.593
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)-n1cncn1)C(F)(F)F
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| InChI |
InChI=1S/C24H24F3N11OS/c1-13-9-35(6-7-36(13)19(39)10-37-15(3)30-14(2)34-37)22-20(33-23(40-22)24(25,26)27)21-31-17-5-4-16(8-18(17)32-21)38-12-28-11-29-38/h4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,31,32)/t13-/m1/s1
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| InChIKey |
OEOHNTRTGVOMDH-CYBMUJFWSA-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