General Information of the Compound
| Compound ID |
CP0386926
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| Compound Name |
CHEBI:2625
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| Structure |
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| Formula |
C43H48N4O6
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| Molecular Weight |
716.879
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| Canonical SMILES |
COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3[C@H]2[C@]2(CCO[C@H]2[C@@]24C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@]8([C@H]76)c6cccc(OC)c6N(C2)[C@@]58O[C@@H]34)C1
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| InChI |
InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+/m0/s1
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| InChIKey |
RZBFPDQKWUWUCK-SFUBKHQQSA-N
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| CAS |
31148-60-4
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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: PT06117, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1