General Information of the Compound
| Compound ID |
CP0261303
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| Compound Name |
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C21H29ClN4O3
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| Molecular Weight |
420.941
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| Canonical SMILES |
CO[C@@H]1CN(CCCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C21H29ClN4O3/c1-28-19-13-17(23)16(22)12-15(19)21(27)24-18-6-11-26(14-20(18)29-2)10-5-9-25-7-3-4-8-25/h3-4,7-8,12-13,18,20H,5-6,9-11,14,23H2,1-2H3,(H,24,27)/t18-,20+/m0/s1
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| InChIKey |
OBSQRQKRXUFJSA-AZUAARDMSA-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