General Information of the Compound
| Compound ID |
CP0329775
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| Compound Name |
US11046688, Example 90
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| Structure |
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| Formula |
C24H26N6OS
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| Molecular Weight |
446.58
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccnc(SC3CCCCC3)c2n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C24H26N6OS/c1-30-15-18(14-27-30)16-8-9-20(21(12-16)31-2)28-24-26-13-17-10-11-25-23(22(17)29-24)32-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,26,28,29)
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| InChIKey |
OPRFPXSJYIUWOX-UHFFFAOYSA-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