General Information of the Compound
| Compound ID |
CP0497619
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| Compound Name |
US9434725, 106
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| Structure |
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| Formula |
C23H25N7O
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| Molecular Weight |
415.501
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| Canonical SMILES |
CCc1cncc(c1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC(O)C1
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| InChI |
InChI=1S/C23H25N7O/c1-2-16-8-17(11-25-10-16)20-9-21-18(12-26-20)13-27-30(21)23-5-3-4-22(28-23)29-7-6-24-14-19(31)15-29/h3-5,8-13,19,24,31H,2,6-7,14-15H2,1H3
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| InChIKey |
QBMHBUSZNODSPS-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