General Information of the Compound
| Compound ID |
CP0564101
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| Compound Name |
US9266876, 87
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| Structure |
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| Formula |
C24H23ClN8OS
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| Molecular Weight |
507.023
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(Cl)c(C)cc2[nH]1
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| InChI |
InChI=1S/C24H23ClN8OS/c1-14-8-18-19(9-16(14)25)30-22(29-18)21-24(35-13-28-21)31-6-7-33(15(2)10-31)20(34)11-32-12-27-17-4-3-5-26-23(17)32/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,29,30)/t15-/m1/s1
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| InChIKey |
FWCTVMMNOUKNDL-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