General Information of the Compound
| Compound ID |
CP0478963
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| Compound Name |
2-chloro-N,N-dimethyl-4-[3-[(2'S,3S)-2-oxo-2'-propan-2-yl-1'-propan-2-ylsulfonylspiro[indole-3,3'-pyrrolidine]-1-yl]phenyl]benzamide
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| Formula |
C32H36ClN3O4S
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| Molecular Weight |
594.177
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| Canonical SMILES |
CC(C)[C@@H]1N(CC[C@@]11C(=O)N(c2ccccc12)c1cccc(c1)-c1ccc(C(=O)N(C)C)c(Cl)c1)S(=O)(=O)C(C)C
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| InChI |
InChI=1S/C32H36ClN3O4S/c1-20(2)29-32(16-17-35(29)41(39,40)21(3)4)26-12-7-8-13-28(26)36(31(32)38)24-11-9-10-22(18-24)23-14-15-25(27(33)19-23)30(37)34(5)6/h7-15,18-21,29H,16-17H2,1-6H3/t29-,32-/m0/s1
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| InChIKey |
JSOVILRYKGQEGO-NYDCQLBNSA-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta