General Information of the Compound
| Compound ID |
CP0419153
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| Compound Name |
(1R)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-phenylethanol
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| Formula |
C27H30N2O2
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| Molecular Weight |
414.549
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2C[C@]3(C)[C@H](CCCC3=Cc12)[C@@](C)(O)c1ccccc1
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| InChI |
InChI=1S/C27H30N2O2/c1-26-17-19-18-28-29(22-12-14-23(31-3)15-13-22)24(19)16-21(26)10-7-11-25(26)27(2,30)20-8-5-4-6-9-20/h4-6,8-9,12-16,18,25,30H,7,10-11,17H2,1-3H3/t25-,26-,27-/m0/s1
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| InChIKey |
RXSPTUZQAHSAAS-QKDODKLFSA-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