General Information of the Compound
| Compound ID |
CP0501086
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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-(2-phenylethoxy)pyridin-2-yl]amino]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C32H37ClN4O3S
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| Molecular Weight |
593.193
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| Canonical SMILES |
CCc1sc(CCc2cc(OCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
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| InChI |
InChI=1S/C32H37ClN4O3S/c1-5-29-22(4)35-31(41-29)12-11-26-18-28(39-14-13-23-9-7-6-8-10-23)19-30(36-26)34-20-24-15-25(33)17-27(16-24)37-32(38)40-21(2)3/h6-10,15-19,21H,5,11-14,20H2,1-4H3,(H,34,36)(H,37,38)
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| InChIKey |
AEHVGXRWBYJEPN-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