General Information of the Compound
| Compound ID |
CP0466436
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| Compound Name |
7-(4-hydroxyphenyl)-8-[4-[(3S)-1-propylpyrrolidin-3-yl]oxyphenyl]-5,6-dihydronaphthalen-2-ol
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| Structure |
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| Formula |
C29H31NO3
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| Molecular Weight |
441.571
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| Canonical SMILES |
CCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCc2ccc(O)cc12)c1ccc(O)cc1
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| InChI |
InChI=1S/C29H31NO3/c1-2-16-30-17-15-26(19-30)33-25-12-6-22(7-13-25)29-27(20-3-9-23(31)10-4-20)14-8-21-5-11-24(32)18-28(21)29/h3-7,9-13,18,26,31-32H,2,8,14-17,19H2,1H3/t26-/m0/s1
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| InChIKey |
NPMSBEJMAFEJTN-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