General Information of the Compound
| Compound ID |
CP0504822
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| Compound Name |
7-indol-1-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)-n1ccc2ccccc12
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| InChI |
InChI=1S/C24H23N3O2/c1-28-23-14-21(27-10-8-19-6-2-3-7-22(19)27)13-20-17-26(11-12-29-24(20)23)16-18-5-4-9-25-15-18/h2-10,13-15H,11-12,16-17H2,1H3
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| InChIKey |
DMZSBWTVXNLHFV-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