General Information of the Compound
| Compound ID |
CP0407590
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| Compound Name |
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine
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| Structure |
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| Formula |
C23H23Cl2N7O
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| Molecular Weight |
484.391
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| Canonical SMILES |
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(C)(C)c1nnn[nH]1
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| InChI |
InChI=1S/C23H23Cl2N7O/c1-23(2,21-29-31-32-30-21)16-6-4-5-15(11-16)19-13-20(28-22(27-19)33-3)26-10-9-14-7-8-17(24)12-18(14)25/h4-8,11-13H,9-10H2,1-3H3,(H,26,27,28)(H,29,30,31,32)
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| InChIKey |
ZFVUYHLQCIOXNZ-UHFFFAOYSA-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