General Information of the Compound
| Compound ID |
CP0421495
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| Compound Name |
N-[3-[(1E)-1-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C24H23NO3S
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| Molecular Weight |
405.519
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| Canonical SMILES |
CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
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| InChI |
InChI=1S/C24H23NO3S/c1-3-20(17-10-8-11-19(15-17)25-29(2,26)27)24-21-12-5-4-9-18(21)16-28-23-14-7-6-13-22(23)24/h4-15,25H,3,16H2,1-2H3/b24-20+
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| InChIKey |
UFZZMZCIWOEUKP-HIXSDJFHSA-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor