General Information of the Compound
| Compound ID |
CP0084898
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| Compound Name |
(2S)-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]azetidine-2-carboxamide
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| Structure |
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| Formula |
C21H20N4O2
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| Molecular Weight |
360.417
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| Canonical SMILES |
CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCN4)cc3)ccc12
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| InChI |
InChI=1S/C21H20N4O2/c1-2-25-13-14(12-22)18-11-17(7-8-20(18)25)27-16-5-3-15(4-6-16)24-21(26)19-9-10-23-19/h3-8,11,13,19,23H,2,9-10H2,1H3,(H,24,26)/t19-/m0/s1
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| InChIKey |
NEVWOSYUONZQPN-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