General Information of the Compound
| Compound ID |
CP0397695
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| Compound Name |
[2-chloro-4-(3-methylpyrazol-1-yl)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
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| Structure |
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| Formula |
C21H20ClN3O
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| Molecular Weight |
365.864
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C21H20ClN3O/c1-15-11-13-25(23-15)17-9-10-18(19(22)14-17)21(26)24-12-5-4-7-16-6-2-3-8-20(16)24/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3
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| InChIKey |
DAJTYMRNVHIRNN-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