General Information of the Compound
| Compound ID |
CP0431712
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| Compound Name |
7-(5-chloroindol-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 |
C24H22ClN3O2
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| Molecular Weight |
419.912
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| Canonical SMILES |
COc1cc(cc2CN(Cc3cccnc3)CCOc12)-n1ccc2cc(Cl)ccc12
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| InChI |
InChI=1S/C24H22ClN3O2/c1-29-23-13-21(28-8-6-18-11-20(25)4-5-22(18)28)12-19-16-27(9-10-30-24(19)23)15-17-3-2-7-26-14-17/h2-8,11-14H,9-10,15-16H2,1H3
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| InChIKey |
WESWWOOIRSVBJZ-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