General Information of the Compound
| Compound ID |
CP0438209
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| Compound Name |
US8722896, (+/-)-4-(Indol-7-ylmethyl)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylmorpholine-2- carboxamide
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| Structure |
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| Formula |
C28H34ClN3O4
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| Molecular Weight |
512.05
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CN(Cc2cccc3cc[nH]c23)CCO1
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| InChI |
InChI=1S/C28H34ClN3O4/c1-19(2)15-32(16-20-13-23(29)27-24(14-20)34-10-4-11-36-27)28(33)25-18-31(9-12-35-25)17-22-6-3-5-21-7-8-30-26(21)22/h3,5-8,13-14,19,25,30H,4,9-12,15-18H2,1-2H3
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| InChIKey |
MMDJGANIWNFLIU-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