General Information of the Compound
| Compound ID |
CP0405618
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| Compound Name |
(1-{(R)-1-{3-[(E)-2-(6,7-Dihydro-5H-[1]pyrindin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
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| Structure |
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| Formula |
C34H39NO3S
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| Molecular Weight |
541.757
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| Canonical SMILES |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCc3n2)c1
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| InChI |
InChI=1S/C34H39NO3S/c1-33(2,38)29-11-4-3-8-25(29)15-18-31(39-23-34(19-20-34)22-32(36)37)27-10-5-7-24(21-27)13-16-28-17-14-26-9-6-12-30(26)35-28/h3-5,7-8,10-11,13-14,16-17,21,31,38H,6,9,12,15,18-20,22-23H2,1-2H3,(H,36,37)/b16-13+/t31-/m1/s1
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| InChIKey |
YPGHWRLRDCDOMY-ILZHQVLHSA-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