General Information of the Compound
| Compound ID |
CP0470651
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| Compound Name |
US10501411, Example 232
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| Structure |
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| Formula |
C21H25N3O4
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| Molecular Weight |
383.448
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C1CNCCO1)c1ccc(OC2CCOCC2)nc1
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| InChI |
InChI=1S/C21H25N3O4/c25-21(16-3-6-20(23-13-16)28-18-7-10-26-11-8-18)24-17-4-1-15(2-5-17)19-14-22-9-12-27-19/h1-6,13,18-19,22H,7-12,14H2,(H,24,25)
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| InChIKey |
QQEILOVPMZATIW-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1