General Information of the Compound
| Compound ID |
CP0051689
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| Compound Name |
(2S)-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-N-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H24N4O2
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| Molecular Weight |
388.471
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| Canonical SMILES |
CCn1cc(C#N)c2cc(Oc3ccc(cc3)N(C)C(=O)[C@@H]3CCCN3)ccc12
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| InChI |
InChI=1S/C23H24N4O2/c1-3-27-15-16(14-24)20-13-19(10-11-22(20)27)29-18-8-6-17(7-9-18)26(2)23(28)21-5-4-12-25-21/h6-11,13,15,21,25H,3-5,12H2,1-2H3/t21-/m0/s1
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| InChIKey |
GGUGJHPIPBJMFH-NRFANRHFSA-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