General Information of the Compound
| Compound ID |
CP0419408
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| Compound Name |
US10501411, Example 206
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| Structure |
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| Formula |
C23H21ClN2O3
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| Molecular Weight |
408.885
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| Canonical SMILES |
Clc1ccc(Oc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1
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| InChI |
InChI=1S/C23H21ClN2O3/c24-18-5-11-21(12-6-18)29-20-9-3-17(4-10-20)23(27)26-19-7-1-16(2-8-19)22-15-25-13-14-28-22/h1-12,22,25H,13-15H2,(H,26,27)
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| InChIKey |
CCVZFKDILSQMAG-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