General Information of the Compound
| Compound ID |
CP0484057
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| Compound Name |
US10501411, Example 215
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| Structure |
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| Formula |
C24H21ClN2O5
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| Molecular Weight |
452.894
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| Canonical SMILES |
OC(=O)c1ccc(Oc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1Cl
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| InChI |
InChI=1S/C24H21ClN2O5/c25-21-13-19(9-10-20(21)24(29)30)32-18-7-3-16(4-8-18)23(28)27-17-5-1-15(2-6-17)22-14-26-11-12-31-22/h1-10,13,22,26H,11-12,14H2,(H,27,28)(H,29,30)
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| InChIKey |
NMPBETGMQHPGMS-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