General Information of the Compound
| Compound ID |
CP0543776
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| Compound Name |
(S)-N-(3-(4-(3-benzyl-1H-1,2,4-triazol-1-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
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| Structure |
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| Formula |
C28H35N5O
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| Molecular Weight |
457.622
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| Canonical SMILES |
O=C(N[C@@H](CCN1CCC(CC1)n1cnc(Cc2ccccc2)n1)c1ccccc1)C1CCC1
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| InChI |
InChI=1S/C28H35N5O/c34-28(24-12-7-13-24)30-26(23-10-5-2-6-11-23)16-19-32-17-14-25(15-18-32)33-21-29-27(31-33)20-22-8-3-1-4-9-22/h1-6,8-11,21,24-26H,7,12-20H2,(H,30,34)/t26-/m0/s1
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| InChIKey |
HJIFNRLOZKIKIM-SANMLTNESA-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