General Information of the Compound
| Compound ID |
CP0523433
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| Compound Name |
(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]butanamide
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| Structure |
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| Formula |
C24H40N4O2
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| Molecular Weight |
416.61
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(C)cc2)C1)C(C)(C)C
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| InChI |
InChI=1S/C24H40N4O2/c1-17-9-11-19(12-10-17)13-15-28-14-7-8-20(16-28)26-23(30)21(24(3,4)5)27-22(29)18(2)25-6/h9-12,18,20-21,25H,7-8,13-16H2,1-6H3,(H,26,30)(H,27,29)/t18-,20-,21+/m0/s1
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| InChIKey |
SDGMUWHPAOSSST-SESVDKBCSA-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