General Information of the Compound
| Compound ID |
CP0364641
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| Compound Name |
4-amino-N-[(3R,4S)-1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-methoxypiperidin-4-yl]-5-chloro-2-methoxybenzamide
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| Structure |
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| Formula |
C29H39ClN4O4
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| Molecular Weight |
543.108
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| Canonical SMILES |
CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C29H39ClN4O4/c1-37-26-18-24(31)23(30)17-22(26)29(36)32-25-10-12-33(19-27(25)38-2)13-11-28(35)34-14-8-21(9-15-34)16-20-6-4-3-5-7-20/h3-7,17-18,21,25,27H,8-16,19,31H2,1-2H3,(H,32,36)/t25-,27+/m0/s1
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| InChIKey |
ZTQQPPORKRCKLL-AHKZPQOWSA-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