General Information of the Compound
| Compound ID |
CP0395363
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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-morpholin-4-ylpyridin-2-yl]amino]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C28H36ClN5O3S
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| Molecular Weight |
558.148
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| Canonical SMILES |
CCc1sc(CCc2cc(cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
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| InChI |
InChI=1S/C28H36ClN5O3S/c1-5-25-19(4)31-27(38-25)7-6-22-15-24(34-8-10-36-11-9-34)16-26(32-22)30-17-20-12-21(29)14-23(13-20)33-28(35)37-18(2)3/h12-16,18H,5-11,17H2,1-4H3,(H,30,32)(H,33,35)
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| InChIKey |
VQCZRRYZXFJVQA-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