General Information of the Compound
| Compound ID |
CP0351596
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| Compound Name |
US8680275, 142
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| Structure |
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| Formula |
C23H27N7O2
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| Molecular Weight |
433.516
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| Canonical SMILES |
COc1ccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2cc(ccn2)N(C)C)c(c1)-n1nccn1
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| InChI |
InChI=1S/C23H27N7O2/c1-27(2)17-6-8-24-22(12-17)29-14-16-7-11-28(15-21(16)29)23(31)19-5-4-18(32-3)13-20(19)30-25-9-10-26-30/h4-6,8-10,12-13,16,21H,7,11,14-15H2,1-3H3/t16-,21-/m0/s1
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| InChIKey |
QTRSJWYRFYJLCQ-KKSFZXQISA-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