General Information of the Compound
| Compound ID |
CP0481959
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| Compound Name |
2-[[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-1-morpholin-4-ylethanone
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| Structure |
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| Formula |
C33H57NO5
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| Molecular Weight |
547.821
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| Canonical SMILES |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(=O)N1CCOCC1
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| InChI |
InChI=1S/C33H57NO5/c1-22(2)7-6-8-23(3)26-9-10-27-25-19-29(35)33(37)20-24(39-21-30(36)34-15-17-38-18-16-34)11-14-32(33,5)28(25)12-13-31(26,27)4/h22-29,35,37H,6-21H2,1-5H3/t23-,24+,25+,26-,27+,28+,29-,31-,32-,33+/m1/s1
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| InChIKey |
ZCVIBQLRHCRSAC-VPEWLHCBSA-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: PT03759, NPC intracellular cholesterol transporter 1
Protein ID: PT04639, NPC1-like intracellular cholesterol transporter 1