General Information of the Compound
| Compound ID |
CP0506777
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| Compound Name |
US9029370, 30
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| Structure |
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| Formula |
C20H18ClFN4O2
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| Molecular Weight |
400.841
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| Canonical SMILES |
Fc1ccc(cc1)-n1ccc(n1)C(=O)Nc1ccc(cc1Cl)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C20H18ClFN4O2/c21-16-11-13(19-12-23-8-10-28-19)1-6-17(16)24-20(27)18-7-9-26(25-18)15-4-2-14(22)3-5-15/h1-7,9,11,19,23H,8,10,12H2,(H,24,27)/t19-/m0/s1
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| InChIKey |
RIGJHOCYIDQNRK-IBGZPJMESA-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