General Information of the Compound
| Compound ID |
CP0394700
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| Compound Name |
[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(4-phenoxyphenyl)methanol
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| Structure |
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| Formula |
C31H29FN2O2
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| Molecular Weight |
480.583
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(Oc2ccccc2)cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C31H29FN2O2/c1-31-19-22-20-33-34(25-14-12-24(32)13-15-25)29(22)18-23(31)6-5-9-28(31)30(35)21-10-16-27(17-11-21)36-26-7-3-2-4-8-26/h2-4,7-8,10-18,20,28,30,35H,5-6,9,19H2,1H3/t28-,30?,31+/m1/s1
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| InChIKey |
RAFWSQNDMVDZPJ-WTCQQWISSA-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