General Information of the Compound
| Compound ID |
CP0469382
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| Compound Name |
S-(fluoromethyl) (1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-6-(3-methylbutyl)-16-oxo-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carbothioate
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| Structure |
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| Formula |
C28H38F3NO3S
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| Molecular Weight |
525.677
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| Canonical SMILES |
CC(C)CCN1C[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C1)C(=O)SCF
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| InChI |
InChI=1S/C28H38F3NO3S/c1-16(2)6-8-32-13-17-9-19-20-11-22(30)21-10-18(33)5-7-25(21,3)28(20,31)23(34)12-26(19,4)27(17,14-32)24(35)36-15-29/h5,7,10,16-17,19-20,22-23,34H,6,8-9,11-15H2,1-4H3/t17-,19-,20-,22-,23-,25-,26-,27+,28-/m0/s1
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| InChIKey |
CZJZTTKHGBWDAL-OOXXBYQCSA-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: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor