General Information of the Compound
| Compound ID |
CP0958787
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| Compound Name |
(S)-1-(4-((4-(2H-tetrazol-5-yl)benzyl)oxy)benzyl)-N-benzylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H28N6O2
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| Molecular Weight |
468.561
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| Canonical SMILES |
O=C(NCc1ccccc1)[C@@H]1CCCN1Cc1ccc(OCc2ccc(-c3nn[nH]n3)cc2)cc1
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| InChI |
InChI=1S/C27H28N6O2/c34-27(28-17-20-5-2-1-3-6-20)25-7-4-16-33(25)18-21-10-14-24(15-11-21)35-19-22-8-12-23(13-9-22)26-29-31-32-30-26/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,28,34)(H,29,30,31,32)/t25-/m0/s1
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| InChIKey |
PJUOBMRMBUYWIP-VWLOTQADSA-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