General Information of the Compound
| Compound ID |
CP0542450
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| Compound Name |
US9227956, 1
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| Structure |
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| Formula |
C24H24N6O
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| Molecular Weight |
412.497
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| Canonical SMILES |
Cc1cccnc1N([C@@H]1CCCNC1)C(=O)c1ccc(cc1)-c1cnn2cccnc12
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| InChI |
InChI=1S/C24H24N6O/c1-17-5-2-12-26-22(17)30(20-6-3-11-25-15-20)24(31)19-9-7-18(8-10-19)21-16-28-29-14-4-13-27-23(21)29/h2,4-5,7-10,12-14,16,20,25H,3,6,11,15H2,1H3/t20-/m1/s1
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| InChIKey |
BPKFNINHTCLDAF-HXUWFJFHSA-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