General Information of the Compound
| Compound ID |
CP0486367
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| Compound Name |
US9266876, 238
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| Structure |
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| Formula |
C27H31F3N8O2S
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| Molecular Weight |
588.66
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)C1CCOCC1)C(F)(F)F
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| InChI |
InChI=1S/C27H31F3N8O2S/c1-15-13-36(8-9-37(15)22(39)14-38-17(3)31-16(2)35-38)25-23(34-26(41-25)27(28,29)30)24-32-20-5-4-19(12-21(20)33-24)18-6-10-40-11-7-18/h4-5,12,15,18H,6-11,13-14H2,1-3H3,(H,32,33)/t15-/m1/s1
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| InChIKey |
VJHWXFTZYDAOIA-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