General Information of the Compound
| Compound ID |
CP0504124
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| Compound Name |
(2S)-N-[(3S)-1-[2-(4-hydroxyphenyl)ethyl]piperidin-3-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide
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| Structure |
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| Formula |
C23H38N4O3
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| Molecular Weight |
418.582
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(O)cc2)C1)C(C)(C)C
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| InChI |
InChI=1S/C23H38N4O3/c1-16(24-5)21(29)26-20(23(2,3)4)22(30)25-18-7-6-13-27(15-18)14-12-17-8-10-19(28)11-9-17/h8-11,16,18,20,24,28H,6-7,12-15H2,1-5H3,(H,25,30)(H,26,29)/t16-,18-,20+/m0/s1
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| InChIKey |
ORLJFZJKOXJMPA-XKGZKEIXSA-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