General Information of the Compound
| Compound ID |
CP0447840
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| Compound Name |
7-(1H-indol-3-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
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| Structure |
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| Formula |
C24H23N3O2
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| Molecular Weight |
385.467
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| Canonical SMILES |
COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C24H23N3O2/c1-28-23-12-18(21-14-26-22-7-3-2-6-20(21)22)11-19-16-27(9-10-29-24(19)23)15-17-5-4-8-25-13-17/h2-8,11-14,26H,9-10,15-16H2,1H3
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| InChIKey |
WGTCWVZDNCKLGM-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