General Information of the Compound
| Compound ID |
CP0201648
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| Compound Name |
4-[[(3R,4S)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C23H36ClN5O4
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| Molecular Weight |
482.025
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| Canonical SMILES |
CO[C@@H]1CN(CC2CCN(CC2)C(=O)N(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C23H36ClN5O4/c1-27(2)23(31)29-9-5-15(6-10-29)13-28-8-7-19(21(14-28)33-4)26-22(30)16-11-17(24)18(25)12-20(16)32-3/h11-12,15,19,21H,5-10,13-14,25H2,1-4H3,(H,26,30)/t19-,21+/m0/s1
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| InChIKey |
QSJDUBAXHGWYST-PZJWPPBQSA-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