General Information of the Compound
| Compound ID |
CP0484459
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| Compound Name |
US8802663, 152
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| Structure |
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| Formula |
C24H22N6O
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| Molecular Weight |
410.481
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| Canonical SMILES |
N#CCc1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1
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| InChI |
InChI=1S/C24H22N6O/c25-13-10-17-6-8-19(9-7-17)23-28-24(31-29-23)21-16-27-30(20-4-2-1-3-5-20)22(21)18-11-14-26-15-12-18/h6-9,11-12,14-16,20H,1-5,10H2
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| InChIKey |
UPCPHAMZSGMJFM-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