General Information of the Compound
| Compound ID |
CP0534265
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| Compound Name |
9-methoxy-7-(1-methylindol-3-yl)-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
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| Structure |
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| Formula |
C25H25N3O2
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| Molecular Weight |
399.494
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| Canonical SMILES |
COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1cn(C)c2ccccc12
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| InChI |
InChI=1S/C25H25N3O2/c1-27-17-22(21-7-3-4-8-23(21)27)19-12-20-16-28(15-18-6-5-9-26-14-18)10-11-30-25(20)24(13-19)29-2/h3-9,12-14,17H,10-11,15-16H2,1-2H3
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| InChIKey |
HOIDNPRBXLWHHP-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