General Information of the Compound
| Compound ID |
CP0514634
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| Compound Name |
US9266876, 233
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| Structure |
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| Formula |
C26H30F3N9O2S
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| Molecular Weight |
589.648
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)N1CCOCC1)C(F)(F)F
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| InChI |
InChI=1S/C26H30F3N9O2S/c1-15-13-36(6-7-37(15)21(39)14-38-17(3)30-16(2)34-38)24-22(33-25(41-24)26(27,28)29)23-31-19-5-4-18(12-20(19)32-23)35-8-10-40-11-9-35/h4-5,12,15H,6-11,13-14H2,1-3H3,(H,31,32)/t15-/m1/s1
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| InChIKey |
XVZNCFNOCOZMAS-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