General Information of the Compound
| Compound ID |
CP0437086
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| Compound Name |
N-[4-[[(3S)-3-(2-aminoquinolin-8-yl)oxypyrrolidin-1-yl]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C22H24N4O2
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| Molecular Weight |
376.46
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| Canonical SMILES |
CC(=O)Nc1ccc(CN2CC[C@@H](C2)Oc2cccc3ccc(N)nc23)cc1
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| InChI |
InChI=1S/C22H24N4O2/c1-15(27)24-18-8-5-16(6-9-18)13-26-12-11-19(14-26)28-20-4-2-3-17-7-10-21(23)25-22(17)20/h2-10,19H,11-14H2,1H3,(H2,23,25)(H,24,27)/t19-/m0/s1
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| InChIKey |
NKIZOYQJLUEZMZ-IBGZPJMESA-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