General Information of the Compound
| Compound ID |
CP0515251
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| Compound Name |
US9266876, 235
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| Structure |
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| Formula |
C26H28F3N9O2S
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| Molecular Weight |
587.632
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)N1CCCC1=O)C(F)(F)F
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| InChI |
InChI=1S/C26H28F3N9O2S/c1-14-12-35(9-10-36(14)21(40)13-38-16(3)30-15(2)34-38)24-22(33-25(41-24)26(27,28)29)23-31-18-7-6-17(11-19(18)32-23)37-8-4-5-20(37)39/h6-7,11,14H,4-5,8-10,12-13H2,1-3H3,(H,31,32)/t14-/m1/s1
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| InChIKey |
NSINNRXMHZHLTO-CQSZACIVSA-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