General Information of the Compound
| Compound ID |
CP0413356
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| Compound Name |
US8772323, 121
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| Structure |
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| Formula |
C21H20ClN5O3
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| Molecular Weight |
425.876
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| Canonical SMILES |
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(nc1Cl)N1CCOCC1
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| InChI |
InChI=1S/C21H20ClN5O3/c1-12-10-18(28)25-26-19(12)13-2-4-15-16(11-13)30-21(23-15)14-3-5-17(24-20(14)22)27-6-8-29-9-7-27/h2-5,11-12H,6-10H2,1H3,(H,25,28)
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| InChIKey |
JPXHMLGSNZNILO-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