General Information of the Compound
| Compound ID |
CP0479599
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| Compound Name |
N-butyl-5,7-dichloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C25H22Cl2N6O
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| Molecular Weight |
493.398
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| Canonical SMILES |
CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(Cl)cc(Cl)c2o1
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| InChI |
InChI=1S/C25H22Cl2N6O/c1-2-3-12-33(25-28-22-14-18(26)13-21(27)23(22)34-25)15-16-8-10-17(11-9-16)19-6-4-5-7-20(19)24-29-31-32-30-24/h4-11,13-14H,2-3,12,15H2,1H3,(H,29,30,31,32)
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| InChIKey |
RIRQEBNEBGRASB-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