General Information of the Compound
| Compound ID |
CP0427399
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| Compound Name |
(4R)-N,N-diethyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
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| Structure |
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| Formula |
C28H47NO2
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| Molecular Weight |
429.689
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| Canonical SMILES |
CCN(CC)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C28H47NO2/c1-6-29(7-2)26(31)13-8-19(3)23-11-12-24-22-10-9-20-18-21(30)14-16-27(20,4)25(22)15-17-28(23,24)5/h9,19,21-25,30H,6-8,10-18H2,1-5H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1
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| InChIKey |
UHXLQEAPQSOPCF-JDTILAPWSA-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: PT04639, NPC1-like intracellular cholesterol transporter 1
Protein ID: PT06830, Oxysterols receptor LXR-beta