General Information of the Compound
| Compound ID |
CP0563116
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| Compound Name |
CHEMBL4104915
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| Formula |
C22H32N4O2
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| Molecular Weight |
384.524
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| Canonical SMILES |
C1CC(CCO1)c1c[nH]c2nccc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12
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| InChI |
InChI=1S/C22H32N4O2/c1-3-18(26-9-13-28-14-10-26)4-2-17(1)25-20-5-8-23-22-21(20)19(15-24-22)16-6-11-27-12-7-16/h5,8,15-18H,1-4,6-7,9-14H2,(H2,23,24,25)/t17-,18-
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| InChIKey |
DCOKRGDBOMKVGP-IYARVYRRSA-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