General Information of the Compound
| Compound ID |
CP0418713
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| Compound Name |
4-[3-[(2'S,3S)-1'-(tert-butylcarbamothioyl)-2-oxo-2'-propan-2-ylspiro[indole-3,3'-pyrrolidine]-1-yl]phenyl]-2-chloro-N,N-dimethylbenzamide
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| Formula |
C34H39ClN4O2S
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| Molecular Weight |
603.232
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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)C(=S)NC(C)(C)C
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| InChI |
InChI=1S/C34H39ClN4O2S/c1-21(2)29-34(17-18-38(29)32(42)36-33(3,4)5)26-13-8-9-14-28(26)39(31(34)41)24-12-10-11-22(19-24)23-15-16-25(27(35)20-23)30(40)37(6)7/h8-16,19-21,29H,17-18H2,1-7H3,(H,36,42)/t29-,34-/m0/s1
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| InChIKey |
HQPVSZHQXIYMRT-DODOAAEWSA-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