General Information of the Compound
| Compound ID |
CP0575350
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| Compound Name |
1-(9-methoxy-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indol-2-yl)-2-morpholin-4-ylethanone
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| Structure |
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| Formula |
C19H25N3O3
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| Molecular Weight |
343.427
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| Canonical SMILES |
COc1ccc2[nH]c3CCCN(Cc3c2c1)C(=O)CN1CCOCC1
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| InChI |
InChI=1S/C19H25N3O3/c1-24-14-4-5-18-15(11-14)16-12-22(6-2-3-17(16)20-18)19(23)13-21-7-9-25-10-8-21/h4-5,11,20H,2-3,6-10,12-13H2,1H3
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| InChIKey |
RAPJKJLCEJGKLL-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