General Information of the Compound
| Compound ID |
CP0519541
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| Compound Name |
US9150519, 1-5
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
Oc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c2ccccc12
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| InChI |
InChI=1S/C21H22N4O2/c26-19-11-10-17(15-8-4-5-9-16(15)19)25-21(27)18-12-20(23-13-22-18)24-14-6-2-1-3-7-14/h4-5,8-14,26H,1-3,6-7H2,(H,25,27)(H,22,23,24)
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| InChIKey |
ODJZPCPILLDSHR-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