General Information of the Compound
| Compound ID |
CP0383466
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| Compound Name |
5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-6-(4-hydroxycyclohexyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
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| Structure |
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| Formula |
C30H38FNO3
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| Molecular Weight |
479.636
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| Canonical SMILES |
OC1CCC(CC1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
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| InChI |
InChI=1S/C30H38FNO3/c31-16-2-17-32-18-15-27(20-32)35-26-12-7-22(8-13-26)30-28(21-5-9-24(33)10-6-21)4-1-3-23-19-25(34)11-14-29(23)30/h7-8,11-14,19,21,24,27,33-34H,1-6,9-10,15-18,20H2/t21?,24?,27-/m0/s1
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| InChIKey |
ORNJMAUSEXCFFI-CGYPVTCASA-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