General Information of the Compound
| Compound ID |
CP0468181
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-(Indol-7- ylmethylamino)-N-(6-chloro- 2,3,4,5-tetrahydro-1-benzoxepin- 8-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C28H36ClN3O2
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| Molecular Weight |
482.068
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2CCCCOc2c1)C(=O)C(C)CNCc1cccc2cc[nH]c12
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| InChI |
InChI=1S/C28H36ClN3O2/c1-19(2)17-32(18-21-13-25(29)24-9-4-5-12-34-26(24)14-21)28(33)20(3)15-30-16-23-8-6-7-22-10-11-31-27(22)23/h6-8,10-11,13-14,19-20,30-31H,4-5,9,12,15-18H2,1-3H3
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| InChIKey |
HPGLTLKBQDAPOP-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