General Information of the Compound
| Compound ID |
CP0487055
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| Compound Name |
2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-(7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
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| Structure |
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| Formula |
C35H41NO3S
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| Molecular Weight |
555.784
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| Canonical SMILES |
CC1CCc2ccc(\C=C\c3cccc(c3)[C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(O)=O)CC3)nc12
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| InChI |
InChI=1S/C35H41NO3S/c1-24-11-13-27-14-17-29(36-33(24)27)16-12-25-7-6-9-28(21-25)31(40-23-35(19-20-35)22-32(37)38)18-15-26-8-4-5-10-30(26)34(2,3)39/h4-10,12,14,16-17,21,24,31,39H,11,13,15,18-20,22-23H2,1-3H3,(H,37,38)/b16-12+/t24?,31-/m1/s1
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| InChIKey |
NWPVERDHSASZCG-KFEOUICMSA-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