General Information of the Compound
| Compound ID |
CP0446995
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| Compound Name |
methyl 2-[(4-butoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C22H26N2O5S
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| Molecular Weight |
430.526
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| Canonical SMILES |
CCCCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OC
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| InChI |
InChI=1S/C22H26N2O5S/c1-3-4-13-29-17-9-11-18(12-10-17)30(26,27)24-21(22(25)28-2)14-16-15-23-20-8-6-5-7-19(16)20/h5-12,15,21,23-24H,3-4,13-14H2,1-2H3
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| InChIKey |
BRMKFAYWVMIHQZ-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