General Information of the Compound
| Compound ID |
CP0429692
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| Compound Name |
US8722896, (-)-(3R)-1-(3,5-Diaminobenzyl)- N-(9-chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C26H35ClN4O3
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| Molecular Weight |
487.044
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2cc(N)cc(N)c2)C1
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| InChI |
InChI=1S/C26H35ClN4O3/c1-17(2)13-31(15-19-10-23(27)25-24(11-19)33-6-3-7-34-25)26(32)20-4-5-30(16-20)14-18-8-21(28)12-22(29)9-18/h8-12,17,20H,3-7,13-16,28-29H2,1-2H3
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| InChIKey |
ITRINVRANSXSLV-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