General Information of the Compound
| Compound ID |
CP0404924
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| Compound Name |
(1S,3S,3aR,3bS,10R)-10-(4-Dimethylamino-phenyl)-1-hydroxy-12a-methyl-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 |
C28H32F5NO3
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| Molecular Weight |
525.558
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| Canonical SMILES |
CN(C)c1ccc(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/C28H32F5NO3/c1-25-15-37-24(16-4-7-18(8-5-16)34(2)3)23-20-11-9-19(35)14-17(20)6-10-21(23)22(25)12-13-26(25,36)27(29,30)28(31,32)33/h4-5,7-8,14,21-22,24,36H,6,9-13,15H2,1-3H3/t21-,22-,24+,25-,26-/m0/s1
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| InChIKey |
ZXXGFBBNJBARSN-AWTHMBSUSA-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