General Information of the Compound
| Compound ID |
CP0401201
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| Compound Name |
(1S,3S,3aR,3bS,10R)-1-Hydroxy-12a-methyl-10-(4-methylsulfanyl-phenyl)-1-pentafluoroethyl-2,3,3a,3b,4,5,9,10,12,12a-decahydro-1H,8H-11-oxa-naphtho[2,1-e]azulen-7-one
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| Structure |
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| Formula |
C27H29F5O3S
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| Molecular Weight |
528.583
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| Canonical SMILES |
CSc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C27H29F5O3S/c1-24-14-35-23(15-3-7-18(36-2)8-4-15)22-19-10-6-17(33)13-16(19)5-9-20(22)21(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-21,23,34H,5-6,9-12,14H2,1-2H3/t20-,21-,23+,24-,25-/m0/s1
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| InChIKey |
GCKMJAVBEKTJOI-XPVPTZRYSA-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: PT01172, Progesterone receptor