General Information of the Compound
| Compound ID |
CP0565791
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| Compound Name |
US9266876, 224
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| Structure |
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| Formula |
C27H27N7O3S
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| Molecular Weight |
529.626
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1sc(CCC(O)=O)nc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C27H27N7O3S/c1-17-15-33(13-14-34(17)22(35)16-32-12-10-18-5-4-11-28-26(18)32)27-24(31-21(38-27)8-9-23(36)37)25-29-19-6-2-3-7-20(19)30-25/h2-7,10-12,17H,8-9,13-16H2,1H3,(H,29,30)(H,36,37)/t17-/m1/s1
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| InChIKey |
DUMVKKCVINYRND-QGZVFWFLSA-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