General Information of the Compound
| Compound ID |
CP0530279
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| Compound Name |
(3-Chloro-5-{[6-[2-(5-ethyl-4-methyl-thiazol-2-yl)-ethyl]-4-(3-pyridin-3-yl-propoxy)-pyridin-2-ylamino]-methyl}-phenyl)-carbamic acid isopropyl ester
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| Structure |
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| Formula |
C32H38ClN5O3S
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| Molecular Weight |
608.208
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| Canonical SMILES |
CCc1sc(CCc2cc(OCCCc3cccnc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
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| InChI |
InChI=1S/C32H38ClN5O3S/c1-5-29-22(4)36-31(42-29)11-10-26-17-28(40-13-7-9-23-8-6-12-34-19-23)18-30(37-26)35-20-24-14-25(33)16-27(15-24)38-32(39)41-21(2)3/h6,8,12,14-19,21H,5,7,9-11,13,20H2,1-4H3,(H,35,37)(H,38,39)
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| InChIKey |
KTOVLQSGAUAGBK-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