General Information of the Compound
| Compound ID |
CP0406923
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| Compound Name |
US8722896, (-)-(3R)-1-(3-Methoxybenzyl)- 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 |
C27H35ClN2O4
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| Molecular Weight |
487.04
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| Canonical SMILES |
COc1cccc(CN2CC[C@H](C2)C(=O)N(CC(C)C)Cc2cc(Cl)c3OCCCOc3c2)c1
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| InChI |
InChI=1S/C27H35ClN2O4/c1-19(2)15-30(17-21-13-24(28)26-25(14-21)33-10-5-11-34-26)27(31)22-8-9-29(18-22)16-20-6-4-7-23(12-20)32-3/h4,6-7,12-14,19,22H,5,8-11,15-18H2,1-3H3/t22-/m1/s1
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| InChIKey |
NAJXUGYEBJEJQC-JOCHJYFZSA-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