General Information of the Compound
| Compound ID |
CP0402871
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| Compound Name |
(3S)-3-[4-[(5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylthiophen-2-yl)methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C30H31NO3S
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| Molecular Weight |
485.649
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(s2)N2CCC3(CCc4ccccc34)CC2)cc1
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| InChI |
InChI=1S/C30H31NO3S/c1-2-5-24(20-29(32)33)22-8-10-25(11-9-22)34-21-26-12-13-28(35-26)31-18-16-30(17-19-31)15-14-23-6-3-4-7-27(23)30/h3-4,6-13,24H,14-21H2,1H3,(H,32,33)/t24-/m0/s1
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| InChIKey |
DRUKLGQQEASCBQ-DEOSSOPVSA-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