General Information of the Compound
| Compound ID |
CP0477025
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| Compound Name |
US10065961, Compound 15
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| Structure |
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| Formula |
C23H21N5O2S
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| Molecular Weight |
431.521
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| Canonical SMILES |
C[C@H]1N(CCn2c1nnc2-c1coc(n1)C1CC1)C(=O)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C23H21N5O2S/c1-14-20-25-26-21(18-13-30-22(24-18)16-6-7-16)28(20)11-10-27(14)23(29)17-8-4-15(5-9-17)19-3-2-12-31-19/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3/t14-/m1/s1
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| InChIKey |
XGKUVYHGLKSCMQ-CQSZACIVSA-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