General Information of the Compound
| Compound ID |
CP0550807
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| Compound Name |
US8722896, (-)-(2R)-2-Ethyl-3- (benzylamino)-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C26H35ClN2O3
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| Molecular Weight |
459.03
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| Canonical SMILES |
CCC(CNCc1ccccc1)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
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| InChI |
InChI=1S/C26H35ClN2O3/c1-4-22(16-28-15-20-9-6-5-7-10-20)26(30)29(17-19(2)3)18-21-13-23(27)25-24(14-21)31-11-8-12-32-25/h5-7,9-10,13-14,19,22,28H,4,8,11-12,15-18H2,1-3H3
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| InChIKey |
PRQYHOYQRQIUBP-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