General Information of the Compound
| Compound ID |
CP0383308
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| Compound Name |
2-[5-(2-methoxyphenoxy)-2-piperidin-4-yl-6-[(5-propan-2-ylpyridin-2-yl)sulfonylamino]pyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
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| Structure |
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| Formula |
C32H37N7O7S
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| Molecular Weight |
663.757
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C1CCNCC1
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| InChI |
InChI=1S/C32H37N7O7S/c1-21(2)23-11-12-27(35-20-23)47(41,42)39-30-28(46-25-9-5-4-8-24(25)43-3)31(38-29(37-30)22-13-16-33-17-14-22)44-18-19-45-32(40)36-26-10-6-7-15-34-26/h4-12,15,20-22,33H,13-14,16-19H2,1-3H3,(H,34,36,40)(H,37,38,39)
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| InChIKey |
KXJZFAQLRGGYSV-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