General Information of the Compound
| Compound ID |
CP0511234
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| Compound Name |
2-[6-[(4-tert-butylphenyl)sulfonylamino]-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
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| Structure |
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| Formula |
C32H35N5O7S
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| Molecular Weight |
633.727
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C1CC1
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| InChI |
InChI=1S/C32H35N5O7S/c1-32(2,3)22-14-16-23(17-15-22)45(39,40)37-29-27(44-25-10-6-5-9-24(25)41-4)30(36-28(35-29)21-12-13-21)42-19-20-43-31(38)34-26-11-7-8-18-33-26/h5-11,14-18,21H,12-13,19-20H2,1-4H3,(H,33,34,38)(H,35,36,37)
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| InChIKey |
JOZGLYQYYYGZBS-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