General Information of the Compound
| Compound ID |
CP0497716
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| Compound Name |
propan-2-yl N-[3-chloro-5-[[[6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-hexoxypyridin-2-yl]amino]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C30H41ClN4O3S
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| Molecular Weight |
573.203
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| Canonical SMILES |
CCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
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| InChI |
InChI=1S/C30H41ClN4O3S/c1-6-8-9-10-13-37-26-17-24(11-12-29-33-21(5)27(7-2)39-29)34-28(18-26)32-19-22-14-23(31)16-25(15-22)35-30(36)38-20(3)4/h14-18,20H,6-13,19H2,1-5H3,(H,32,34)(H,35,36)
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| InChIKey |
KFEBXGXDHOMHPW-UHFFFAOYSA-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