General Information of the Compound
| Compound ID |
CP0201647
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| Compound Name |
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[(1-propanethioylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C23H35ClN4O3S
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| Molecular Weight |
483.078
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| Canonical SMILES |
CCC(=S)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1
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| InChI |
InChI=1S/C23H35ClN4O3S/c1-4-22(32)28-9-5-15(6-10-28)13-27-8-7-19(21(14-27)31-3)26-23(29)16-11-17(24)18(25)12-20(16)30-2/h11-12,15,19,21H,4-10,13-14,25H2,1-3H3,(H,26,29)/t19-,21+/m0/s1
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| InChIKey |
KIXKASACPOTYGJ-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