General Information of the Compound
| Compound ID |
CP0486368
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| Compound Name |
US9266876, 239
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| Structure |
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| Formula |
C24H28F3N9OS
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| Molecular Weight |
547.611
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2cc(CCN)ccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C24H28F3N9OS/c1-13-11-34(8-9-35(13)19(37)12-36-15(3)29-14(2)33-36)22-20(32-23(38-22)24(25,26)27)21-30-17-5-4-16(6-7-28)10-18(17)31-21/h4-5,10,13H,6-9,11-12,28H2,1-3H3,(H,30,31)/t13-/m1/s1
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| InChIKey |
RGCMDFOKPCNRJN-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