General Information of the Compound
| Compound ID |
CP0488813
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| Compound Name |
US9062059, 8-8
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| Structure |
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| Formula |
C23H23N7OS
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| Molecular Weight |
445.552
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| Canonical SMILES |
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(cn3)-c3cccnc3)nc(C)n2)s1
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| InChI |
InChI=1S/C23H23N7OS/c1-14-27-21(26-12-23-30-29-15(2)32-23)9-22(28-14)31-13-18-8-19(18)20-6-5-17(11-25-20)16-4-3-7-24-10-16/h3-7,9-11,18-19H,8,12-13H2,1-2H3,(H,26,27,28)/t18-,19+/m1/s1
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| InChIKey |
PIRMCOIXKTYSAA-MOPGFXCFSA-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