General Information of the Compound
| Compound ID |
CP0479477
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| Compound Name |
8-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-7-(4-hydroxyphenyl)-5,6-dihydronaphthalen-2-ol
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| Structure |
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| Formula |
C29H30FNO3
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| Molecular Weight |
459.561
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| Canonical SMILES |
Oc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CC1
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| InChI |
InChI=1S/C29H30FNO3/c30-15-1-16-31-17-14-26(19-31)34-25-11-5-22(6-12-25)29-27(20-2-8-23(32)9-3-20)13-7-21-4-10-24(33)18-28(21)29/h2-6,8-12,18,26,32-33H,1,7,13-17,19H2/t26-/m0/s1
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| InChIKey |
KMPCNSDMKUQNHK-SANMLTNESA-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