General Information of the Compound
| Compound ID |
CP0238435
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| Compound Name |
CHEMBL2058168
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| Formula |
C21H26N8O3
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| Molecular Weight |
438.492
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| Canonical SMILES |
Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)N[C@H]1CC[C@H](O)CC1
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| InChI |
InChI=1S/C21H26N8O3/c22-21-23-9-13(10-24-21)16-11-29-12-17(20(31)25-14-1-3-15(30)4-2-14)27-19(29)18(26-16)28-5-7-32-8-6-28/h9-12,14-15,30H,1-8H2,(H,25,31)(H2,22,23,24)/t14-,15-
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| InChIKey |
AVMVQHVGIPSGDM-SHTZXODSSA-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