General Information of the Compound
| Compound ID |
CP0457693
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| Compound Name |
(+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)morpholine-4-carboxamide
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| Structure |
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| Formula |
C26H40N6O2
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| Molecular Weight |
468.646
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)N1CCOCC1)c1ccccc1
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| InChI |
InChI=1S/C26H40N6O2/c1-19(2)25-29-28-21(4)32(25)23-10-12-30(13-11-23)20(3)18-24(22-8-6-5-7-9-22)27-26(33)31-14-16-34-17-15-31/h5-9,19-20,23-24H,10-18H2,1-4H3,(H,27,33)/t20?,24-/m0/s1
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| InChIKey |
PUGPDYKKGKTOQZ-JWIMYKKASA-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