General Information of the Compound
| Compound ID |
CP0409780
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| Compound Name |
US8722896, (-)-(3R)-1-(N-methyl-indolin-4- ylmethyl)-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpiperidine-3- carboxamide
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| Structure |
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| Formula |
C30H40ClN3O3
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| Molecular Weight |
526.121
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCCN(Cc2cccc3N(C)CCc23)C1
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| InChI |
InChI=1S/C30H40ClN3O3/c1-21(2)17-34(18-22-15-26(31)29-28(16-22)36-13-6-14-37-29)30(35)24-8-5-11-33(20-24)19-23-7-4-9-27-25(23)10-12-32(27)3/h4,7,9,15-16,21,24H,5-6,8,10-14,17-20H2,1-3H3
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| InChIKey |
IWFLCYONAPPRPA-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