General Information of the Compound
| Compound ID |
CP0002913
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| Compound Name |
CHEMBL4207048
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| Formula |
C22H28ClN7
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| Molecular Weight |
425.968
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| Canonical SMILES |
CC(C)=CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C22H28ClN7/c1-14(2)10-11-30-13-25-19-20(26-18-5-3-4-15(23)12-18)28-22(29-21(19)30)27-17-8-6-16(24)7-9-17/h3-5,10,12-13,16-17H,6-9,11,24H2,1-2H3,(H2,26,27,28,29)/t16-,17-
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| InChIKey |
YWIJQAKVKLLERX-QAQDUYKDSA-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