General Information of the Compound
| Compound ID |
CP0468507
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| Compound Name |
US8853203, 77
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| Structure |
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| Formula |
C22H21N5O2S
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| Molecular Weight |
419.51
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| Canonical SMILES |
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncc(C)s1
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| InChI |
InChI=1S/C22H21N5O2S/c1-14-9-24-22(30-14)18-5-3-4-17-16(18)6-7-27-19(17)8-20(23-10-21(27)28)26-11-15(12-29-2)25-13-26/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3
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| InChIKey |
NRBVXSKAACXSSS-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