General Information of the Compound
| Compound ID |
CP0488814
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| Compound Name |
US9062059, 12-2
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| Structure |
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| Formula |
C19H21N5O2
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| Molecular Weight |
351.41
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| Canonical SMILES |
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(C)n2)no1
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| InChI |
InChI=1S/C19H21N5O2/c1-12-7-15(24-26-12)10-21-18-9-19(23-13(2)22-18)25-11-14-8-16(14)17-5-3-4-6-20-17/h3-7,9,14,16H,8,10-11H2,1-2H3,(H,21,22,23)/t14-,16+/m1/s1
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| InChIKey |
XGWSTNMIYQJSDN-ZBFHGGJFSA-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