General Information of the Compound
| Compound ID |
CP0390901
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| Compound Name |
S-(fluoromethyl) (1S,2S,4R,8S,9S,11S,12R,13S,19S)-6-[(3-chlorophenyl)methyl]-12,19-difluoro-11-hydroxy-9,13-dimethyl-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 |
C30H33ClF3NO3S
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| Molecular Weight |
580.112
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@]21C(=O)SCF
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| InChI |
InChI=1S/C30H33ClF3NO3S/c1-27-7-6-20(36)10-23(27)24(33)11-22-21-9-18-14-35(13-17-4-3-5-19(31)8-17)15-29(18,26(38)39-16-32)28(21,2)12-25(37)30(22,27)34/h3-8,10,18,21-22,24-25,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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| InChIKey |
LUCNFWPLWYFURI-AZKQZHLXSA-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