General Information of the Compound
| Compound ID |
CP0385771
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| Compound Name |
US8722896, (+/-)-(3R)-4-(N-methyl-indol-4- ylmethyl)-N-(9-chloro-2,3,4,5- tetrahydro-1-benzoxepin-7- ylmethyl)-N-isobutylmorphoine- 2-carboxamide
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| Structure |
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| Formula |
C30H38ClN3O3
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| Molecular Weight |
524.105
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCCc2c1)C(=O)C1CN(Cc2cccc3n(C)ccc23)CCO1
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| InChI |
InChI=1S/C30H38ClN3O3/c1-21(2)17-34(18-22-15-23-7-4-5-13-37-29(23)26(31)16-22)30(35)28-20-33(12-14-36-28)19-24-8-6-9-27-25(24)10-11-32(27)3/h6,8-11,15-16,21,28H,4-5,7,12-14,17-20H2,1-3H3
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| InChIKey |
JEGSASNANGFZSV-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