General Information of the Compound
| Compound ID |
CP0544222
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| Compound Name |
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-cyclopropylmethanol
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| Structure |
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| Formula |
C22H25FN2O
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| Molecular Weight |
352.453
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)C1CC1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H25FN2O/c1-22-12-15-13-24-25(18-9-7-17(23)8-10-18)20(15)11-16(22)3-2-4-19(22)21(26)14-5-6-14/h7-11,13-14,19,21,26H,2-6,12H2,1H3/t19-,21+,22+/m1/s1
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| InChIKey |
KQBIQSVMSPEZDP-HJNYFJLDSA-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