General Information of the Compound
| Compound ID |
CP0399187
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| Compound Name |
(2S)-N-[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide
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| Structure |
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| Formula |
C24H40N4O3
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| Molecular Weight |
432.609
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2OC)C1)C(C)(C)C
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| InChI |
InChI=1S/C24H40N4O3/c1-17(25-5)22(29)27-21(24(2,3)4)23(30)26-19-11-9-14-28(16-19)15-13-18-10-7-8-12-20(18)31-6/h7-8,10,12,17,19,21,25H,9,11,13-16H2,1-6H3,(H,26,30)(H,27,29)/t17-,19-,21+/m0/s1
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| InChIKey |
UYPSMBAVTSRKEO-HFSMHLIXSA-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