General Information of the Compound
| Compound ID |
CP0383782
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| Compound Name |
(4-Amino-2-methyl-phenyl)-(7-chloro-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
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| Structure |
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| Formula |
C18H19ClN2O
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| Molecular Weight |
314.816
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| Canonical SMILES |
Cc1cc(N)ccc1C(=O)N1CCCCc2cc(Cl)ccc12
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| InChI |
InChI=1S/C18H19ClN2O/c1-12-10-15(20)6-7-16(12)18(22)21-9-3-2-4-13-11-14(19)5-8-17(13)21/h5-8,10-11H,2-4,9,20H2,1H3
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| InChIKey |
UCIKIAKPLKSIGJ-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