General Information of the Compound
| Compound ID |
CP0390486
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| Compound Name |
(S)-N-(3-(4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
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| Structure |
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| Formula |
C23H33N5O
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| Molecular Weight |
395.551
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| Canonical SMILES |
Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1
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| InChI |
InChI=1S/C23H33N5O/c1-17-25-26-18(2)28(17)21-11-14-27(15-12-21)16-13-22(19-7-4-3-5-8-19)24-23(29)20-9-6-10-20/h3-5,7-8,20-22H,6,9-16H2,1-2H3,(H,24,29)/t22-/m0/s1
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| InChIKey |
SRYGGSYASXWGOY-QFIPXVFZSA-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