General Information of the Compound
| Compound ID |
CP0564500
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| Compound Name |
3-[(1S)-1-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]ethyl]benzonitrile
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| Structure |
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| Formula |
C21H17N5
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| Molecular Weight |
339.402
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| Canonical SMILES |
C[C@H](Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C21H17N5/c1-14(17-4-2-3-15(11-17)13-22)24-18-5-6-20-19(12-18)21(26-25-20)16-7-9-23-10-8-16/h2-12,14,24H,1H3,(H,25,26)/t14-/m0/s1
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| InChIKey |
OZYKCCAZNWJOIQ-AWEZNQCLSA-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