General Information of the Compound
| Compound ID |
CP0508194
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| Compound Name |
methyl 2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl-[(4-phenoxyphenyl)methyl]amino]acetate
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| Structure |
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| Formula |
C27H29NO6S
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| Molecular Weight |
495.597
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| Canonical SMILES |
COC(=O)CN(Cc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc2OC(C)(C)CCc2c1
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| InChI |
InChI=1S/C27H29NO6S/c1-27(2)16-15-21-17-24(13-14-25(21)34-27)35(30,31)28(19-26(29)32-3)18-20-9-11-23(12-10-20)33-22-7-5-4-6-8-22/h4-14,17H,15-16,18-19H2,1-3H3
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| InChIKey |
XKCBPALVVMXWSU-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