General Information of the Compound
| Compound ID |
CP0420234
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| Compound Name |
US8835436, Example 115
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| Structure |
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| Formula |
C27H33N5O3
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| Molecular Weight |
475.593
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| Canonical SMILES |
Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H33N5O3/c1-18-6-5-7-23(19(18)2)31-14-12-30(13-15-31)11-10-28-27(33)26-20(3)32(21(4)29-26)22-8-9-24-25(16-22)35-17-34-24/h5-9,16H,10-15,17H2,1-4H3,(H,28,33)
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| InChIKey |
ASCMXYZEXRDQLG-UHFFFAOYSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C