General Information of the Compound
| Compound ID |
CP0515366
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| Compound Name |
US8722896, (+/-)-4-(2-Methylbenzyl)-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 |
C27H35ClN2O4
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| Molecular Weight |
487.04
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CN(Cc2ccccc2C)CCO1
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| InChI |
InChI=1S/C27H35ClN2O4/c1-19(2)15-30(16-21-13-23(28)26-24(14-21)32-10-6-11-34-26)27(31)25-18-29(9-12-33-25)17-22-8-5-4-7-20(22)3/h4-5,7-8,13-14,19,25H,6,9-12,15-18H2,1-3H3
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| InChIKey |
CWMSXRFVTGVVOX-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
Protein ID: PT00629, Prokineticin receptor 1
Protein ID: PT00615, Prokineticin receptor 2