General Information of the Compound
| Compound ID |
CP0957877
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| Compound Name |
US9199981, F133
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| Structure |
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| Formula |
C24H26N6O3
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| Molecular Weight |
446.511
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| Canonical SMILES |
COCCNC1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
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| InChI |
InChI=1S/C24H26N6O3/c1-15-6-7-16(22-28-24(33-29-22)17-11-18(12-17)25-8-10-32-2)13-19(15)27-23(31)20-14-26-21-5-3-4-9-30(20)21/h3-7,9,13-14,17-18,25H,8,10-12H2,1-2H3,(H,27,31)
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| InChIKey |
UXHAQTBGPZMRBR-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