General Information of the Compound
| Compound ID |
CP0153829
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| Compound Name |
CHEMBL3037910
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| Formula |
C29H29N5O2
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| Molecular Weight |
479.584
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| Canonical SMILES |
CC(C)Oc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1
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| InChI |
InChI=1S/C29H29N5O2/c1-17(2)36-24-14-22(18-7-5-4-6-8-18)32-23-13-19(9-10-21(23)24)25-26-27(30)31-11-12-34(26)28(33-25)20-15-29(3,35)16-20/h4-14,17,20,35H,15-16H2,1-3H3,(H2,30,31)/t20-,29+
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| InChIKey |
HSCSCGOSCLPFHX-VTNQZFKNSA-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