General Information of the Compound
| Compound ID |
CP0542105
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| Compound Name |
US8722896, (-)-(3R)-1-(4-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 |
COc1ccc(CN2CC[C@H](C2)C(=O)N(CC(C)C)Cc2cc(Cl)c3OCCCOc3c2)cc1
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| InChI |
InChI=1S/C27H35ClN2O4/c1-19(2)15-30(17-21-13-24(28)26-25(14-21)33-11-4-12-34-26)27(31)22-9-10-29(18-22)16-20-5-7-23(32-3)8-6-20/h5-8,13-14,19,22H,4,9-12,15-18H2,1-3H3/t22-/m1/s1
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| InChIKey |
GSIHWEOFKDOIJJ-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