General Information of the Compound
| Compound ID |
CP0464253
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| Compound Name |
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](naphthalen-1-yl)methanol
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| Structure |
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| Formula |
C28H25FN2O
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| Molecular Weight |
424.519
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CC[C@@H]2[C@H](O)c1cccc2ccccc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H25FN2O/c1-28-16-19-17-30-31(22-12-10-21(29)11-13-22)26(19)15-20(28)9-14-25(28)27(32)24-8-4-6-18-5-2-3-7-23(18)24/h2-8,10-13,15,17,25,27,32H,9,14,16H2,1H3/t25-,27-,28+/m1/s1
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| InChIKey |
FWLWRHKXDGEBTC-KZQOYIJHSA-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