General Information of the Compound
| Compound ID |
CP0456205
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| Compound Name |
CHEMBL2414673
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| Formula |
C23H27N7O2
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| Molecular Weight |
433.516
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| Canonical SMILES |
Cc1nnc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)[nH]1
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| InChI |
InChI=1S/C23H27N7O2/c1-14-27-19(29-28-14)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)30-10-11-32-22-20(23(30)31)21(24)25-13-26-22/h6-9,13,15-16H,2-5,10-12H2,1H3,(H2,24,25,26)(H,27,28,29)/t15-,16-
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| InChIKey |
LZSCWXMRIVANDY-WKILWMFISA-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