General Information of the Compound
| Compound ID |
CP0471306
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| Compound Name |
US9266876, 229
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| Structure |
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| Formula |
C25H27N9OS
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| Molecular Weight |
501.62
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| Canonical SMILES |
CN(C)C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H27N9OS/c1-31(2)12-17-13-32(25-22(28-16-36-25)23-29-18-6-3-4-7-19(18)30-23)10-11-34(17)21(35)14-33-15-27-20-8-5-9-26-24(20)33/h3-9,15-17H,10-14H2,1-2H3,(H,29,30)/t17-/m1/s1
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| InChIKey |
HUGGOWQWJJVVCL-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