General Information of the Compound
| Compound ID |
CP0519481
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| Compound Name |
US9266876, 18
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| Structure |
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| Formula |
C25H25N7OS
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| Molecular Weight |
471.59
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| Canonical SMILES |
CC[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H25N7OS/c1-2-18-14-31(25-22(27-16-34-25)23-28-19-7-3-4-8-20(19)29-23)12-13-32(18)21(33)15-30-11-9-17-6-5-10-26-24(17)30/h3-11,16,18H,2,12-15H2,1H3,(H,28,29)/t18-/m1/s1
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| InChIKey |
WZPRXSIKEOLOJD-GOSISDBHSA-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