General Information of the Compound
| Compound ID |
CP0109667
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| Compound Name |
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C19H27ClN6O3
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| Molecular Weight |
422.917
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| Canonical SMILES |
CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C19H27ClN6O3/c1-28-17-9-15(21)14(20)8-13(17)19(27)24-16-4-7-25(10-18(16)29-2)5-3-6-26-12-22-11-23-26/h8-9,11-12,16,18H,3-7,10,21H2,1-2H3,(H,24,27)/t16-,18+/m0/s1
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| InChIKey |
OTIXSIXXUWNLFA-FUHWJXTLSA-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