General Information of the Compound
| Compound ID |
CP0966765
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| Compound Name |
(3aS,10bS)-3a,5-dibenzyl-2-(4-(3-hydroxypropoxy)phenyl)-5,6-dihydro-3aH-benzo[e]oxazolo[4,5-c]azepin-4(10bH)-one
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| Structure |
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| Formula |
C34H32N2O4
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| Molecular Weight |
532.64
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| Canonical SMILES |
O=C1N(Cc2ccccc2)Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]12Cc1ccccc1
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| InChI |
InChI=1S/C34H32N2O4/c37-20-9-21-39-29-18-16-27(17-19-29)32-35-34(22-25-10-3-1-4-11-25)31(40-32)30-15-8-7-14-28(30)24-36(33(34)38)23-26-12-5-2-6-13-26/h1-8,10-19,31,37H,9,20-24H2/t31-,34-/m0/s1
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| InChIKey |
USQDBZLQTBWLEQ-VBTAUBHQSA-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