General Information of the Compound
| Compound ID |
CP0470587
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| Compound Name |
(3R,5S)-5-[[(2E)-2-[(2-naphthalen-2-ylpyrimidin-5-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H23N5O2
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| Molecular Weight |
389.459
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| Canonical SMILES |
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2cnc(nc2)-c2ccc3ccccc3c2)C1
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| InChI |
InChI=1S/C22H23N5O2/c28-22(29)20-7-15(9-23-14-20)12-26-27-13-16-10-24-21(25-11-16)19-6-5-17-3-1-2-4-18(17)8-19/h1-6,8,10-11,13,15,20,23,26H,7,9,12,14H2,(H,28,29)/b27-13+/t15-,20+/m0/s1
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| InChIKey |
NIEGCKVNLODVJV-ZGCSUJCJSA-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