General Information of the Compound
| Compound ID |
CP0443668
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| Compound Name |
US8802663, 154
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| Structure |
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| Formula |
C24H23N9O
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| Molecular Weight |
453.51
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| Canonical SMILES |
C(c1nnn[nH]1)c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1
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| InChI |
InChI=1S/C24H23N9O/c1-2-4-19(5-3-1)33-22(17-10-12-25-13-11-17)20(15-26-33)24-27-23(30-34-24)18-8-6-16(7-9-18)14-21-28-31-32-29-21/h6-13,15,19H,1-5,14H2,(H,28,29,31,32)
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| InChIKey |
KASCMHDQRGZYRE-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