General Information of the Compound
| Compound ID |
CP0486309
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| Compound Name |
US9266876, 181
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| Structure |
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| Formula |
C27H31F3N8OS
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| Molecular Weight |
572.661
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccc(CN3CCCCC3)cc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C27H31F3N8OS/c1-18-15-36(12-13-38(18)22(39)17-37-11-5-8-31-37)25-23(34-26(40-25)27(28,29)30)24-32-20-7-6-19(14-21(20)33-24)16-35-9-3-2-4-10-35/h5-8,11,14,18H,2-4,9-10,12-13,15-17H2,1H3,(H,32,33)/t18-/m1/s1
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| InChIKey |
NZNVQWUDNQTVRO-GOSISDBHSA-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