General Information of the Compound
| Compound ID |
CP0532874
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| Compound Name |
CPI-444
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| Synonyms |
V81444
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| Structure |
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| Formula |
C20H21N7O3
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| Molecular Weight |
407.434
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)nc2n(Cc3cccc(CO[C@H]4CCOC4)n3)nnc12
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| InChI |
InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1
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| InChIKey |
KURQKNMKCGYWRJ-HNNXBMFYSA-N
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| CAS |
1202402-40-1
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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
Clinical Information about the Compound