General Information of the Compound
| Compound ID |
CP0493464
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| Compound Name |
2-[2-tert-butyl-6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
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| Structure |
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| Formula |
C33H39N5O7S
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| Molecular Weight |
649.77
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C(C)(C)C
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| InChI |
InChI=1S/C33H39N5O7S/c1-32(2,3)22-15-17-23(18-16-22)46(40,41)38-28-27(45-25-13-9-8-12-24(25)42-7)29(37-30(36-28)33(4,5)6)43-20-21-44-31(39)35-26-14-10-11-19-34-26/h8-19H,20-21H2,1-7H3,(H,34,35,39)(H,36,37,38)
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| InChIKey |
XPOWMKNHKCJZNA-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