General Information of the Compound
| Compound ID |
CP0477576
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| Compound Name |
2-[1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]pyrrol-3-yl]acetic acid
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| Structure |
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| Formula |
C28H33NO5
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| Molecular Weight |
463.574
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| Canonical SMILES |
COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CC(O)=O)c1
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| InChI |
InChI=1S/C28H33NO5/c1-18-25(33-2)14-23(15-26(18)34-3)28(32)24(17-29-9-8-19(16-29)13-27(30)31)12-20-10-21-6-4-5-7-22(21)11-20/h4-9,14-16,20,24,28,32H,10-13,17H2,1-3H3,(H,30,31)/t24-,28+/m0/s1
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| InChIKey |
QJKUHFZXCZTBQE-RBJSKKJNSA-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