General Information of the Compound
| Compound ID |
CP0203841
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| Compound Name |
4-amino-5-chloro-N-[(3R,4S)-1-(3-imidazol-1-ylpropyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide
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| Structure |
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| Formula |
C20H28ClN5O3
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| Molecular Weight |
421.929
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| Canonical SMILES |
CO[C@@H]1CN(CCCn2ccnc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C20H28ClN5O3/c1-28-18-11-16(22)15(21)10-14(18)20(27)24-17-4-8-25(12-19(17)29-2)6-3-7-26-9-5-23-13-26/h5,9-11,13,17,19H,3-4,6-8,12,22H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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| InChIKey |
WAKRHHOAPNHFPH-PKOBYXMFSA-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