General Information of the Compound
| Compound ID |
CP0921412
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| Compound Name |
US9090618, ZA39
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| Formula |
C26H35N7
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| Molecular Weight |
445.615
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| Canonical SMILES |
c1ccc2c(c1)nc(-c1nnn[nH]1)n2[C@H]1C[C@H]2CCC[C@@H](C1)N2[C@@H]1C[C@@H]2CCCC[C@@H](C2)C1
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| InChI |
InChI=1S/C26H35N7/c1-2-7-18-12-17(6-1)13-21(14-18)32-19-8-5-9-20(32)16-22(15-19)33-24-11-4-3-10-23(24)27-26(33)25-28-30-31-29-25/h3-4,10-11,17-22H,1-2,5-9,12-16H2,(H,28,29,30,31)/t17-,18+,19-,20+,21-,22+
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| InChIKey |
XWEGIPAVEMURDI-OBHIHTNZSA-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