General Information of the Compound
| Compound ID |
CP0392950
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| Compound Name |
(1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-5,6,7,8-tetrahydro-quinolin-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 |
C37H45NO3S
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| Molecular Weight |
583.838
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| Canonical SMILES |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCC(C)(C)Cc3n2)c1
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| InChI |
InChI=1S/C37H45NO3S/c1-35(2)19-18-28-13-16-30(38-32(28)23-35)15-12-26-8-7-10-29(22-26)33(42-25-37(20-21-37)24-34(39)40)17-14-27-9-5-6-11-31(27)36(3,4)41/h5-13,15-16,22,33,41H,14,17-21,23-25H2,1-4H3,(H,39,40)/b15-12+/t33-/m1/s1
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| InChIKey |
ZWMCRMIDWSXPOI-XKEBZJCVSA-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