General Information of the Compound
| Compound ID |
CP0076763
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| Compound Name |
US9163013, 14
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| Structure |
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| Formula |
C22H26N4O5
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| Molecular Weight |
426.473
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| Canonical SMILES |
COC(=O)c1ccoc1CN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
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| InChI |
InChI=1S/C22H26N4O5/c1-29-15-3-4-18-17(11-15)20(25-24-18)21(27)23-12-14-5-8-26(9-6-14)13-19-16(7-10-31-19)22(28)30-2/h3-4,7,10-11,14H,5-6,8-9,12-13H2,1-2H3,(H,23,27)(H,24,25)
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| InChIKey |
JPBJGSYWESOYTD-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