General Information of the Compound
| Compound ID |
CP0941894
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| Compound Name |
(4-chlorophenyl)(4-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C26H31ClN2O2
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| Molecular Weight |
438.999
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| Canonical SMILES |
O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1
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| InChI |
InChI=1S/C26H31ClN2O2/c27-22-7-4-20(5-8-22)26(30)29-16-12-24(13-17-29)31-25-9-6-19-10-14-28(23-2-1-3-23)15-11-21(19)18-25/h4-9,18,23-24H,1-3,10-17H2
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| InChIKey |
VJJJIWZBFPZTLC-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