General Information of the Compound
| Compound ID |
CP0172545
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| Compound Name |
(2R)-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@H]4CCCN4)cc3)ccc12
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| InChI |
InChI=1S/C22H22N4O2/c1-2-26-14-15(13-23)19-12-18(9-10-21(19)26)28-17-7-5-16(6-8-17)25-22(27)20-4-3-11-24-20/h5-10,12,14,20,24H,2-4,11H2,1H3,(H,25,27)/t20-/m1/s1
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| InChIKey |
NRMHBCGGABGTIL-HXUWFJFHSA-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