General Information of the Compound
| Compound ID |
CP0440613
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| Compound Name |
N-(cyclopentylmethyl)-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 |
C27H26N6O
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| Molecular Weight |
450.546
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| Canonical SMILES |
C(C1CCCC1)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1
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| InChI |
InChI=1S/C27H26N6O/c1-2-8-19(7-1)17-33(27-28-24-11-5-6-12-25(24)34-27)18-20-13-15-21(16-14-20)22-9-3-4-10-23(22)26-29-31-32-30-26/h3-6,9-16,19H,1-2,7-8,17-18H2,(H,29,30,31,32)
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| InChIKey |
HMTFEFNPGQVTJW-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