General Information of the Compound
| Compound ID |
CP0565452
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| Compound Name |
US9266876, 151
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| Structure |
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| Formula |
C27H28N6O2S
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| Molecular Weight |
500.628
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)CN1C(=O)C(C)(C)c2ccccc12)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C27H28N6O2S/c1-17-14-31(25-23(28-16-36-25)24-29-19-9-5-6-10-20(19)30-24)12-13-32(17)22(34)15-33-21-11-7-4-8-18(21)27(2,3)26(33)35/h4-11,16-17H,12-15H2,1-3H3,(H,29,30)/t17-/m1/s1
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| InChIKey |
QXQPQNCYTDCRCE-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