General Information of the Compound
| Compound ID |
CP0479038
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| Compound Name |
US8975261, I-55
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| Structure |
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| Formula |
C20H21N5O2S
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| Molecular Weight |
395.488
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| Canonical SMILES |
COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1nnc(s1)C1CC1
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| InChI |
InChI=1S/C20H21N5O2S/c1-11-21-9-16(20-25-24-19(28-20)12-3-4-12)18(23-11)27-10-13-7-15(13)17-6-5-14(26-2)8-22-17/h5-6,8-9,12-13,15H,3-4,7,10H2,1-2H3/t13-,15+/m1/s1
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| InChIKey |
AHQGHUJWEMWMPD-HIFRSBDPSA-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