General Information of the Compound
| Compound ID |
CP0013742
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| Compound Name |
CHEMBL4205769
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| Formula |
C23H32ClN7
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| Molecular Weight |
442.011
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| Canonical SMILES |
CC(C)CCn1cnc2c(NCc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C23H32ClN7/c1-15(2)10-11-31-14-27-20-21(26-13-16-4-3-5-17(24)12-16)29-23(30-22(20)31)28-19-8-6-18(25)7-9-19/h3-5,12,14-15,18-19H,6-11,13,25H2,1-2H3,(H2,26,28,29,30)/t18-,19-
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| InChIKey |
GWJQYQGLRVOJOV-WGSAOQKQSA-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