General Information of the Compound
| Compound ID |
CP0002911
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| Compound Name |
CHEMBL4210897
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| Formula |
C23H31N7O
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| Molecular Weight |
421.549
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(O)cc2)c2ncn(C3CCCCC3)c2n1
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| InChI |
InChI=1S/C23H31N7O/c24-15-6-8-17(9-7-15)27-23-28-21(26-16-10-12-19(31)13-11-16)20-22(29-23)30(14-25-20)18-4-2-1-3-5-18/h10-15,17-18,31H,1-9,24H2,(H2,26,27,28,29)/t15-,17-
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| InChIKey |
KOGLUWUFJRYZSL-JCNLHEQBSA-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