General Information of the Compound
| Compound ID |
CP0677630
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| Compound Name |
Ethyl 3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthalenyl)-ethyl]amino}-2-hydroxypropyl)oxy]phenyl}propanoate Hydrochloride
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| Structure |
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| Formula |
C29H35ClN2O4
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| Molecular Weight |
511.062
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| Canonical SMILES |
CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1.Cl
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| InChI |
InChI=1S/C29H34N2O4.ClH/c1-4-34-28(33)14-11-21-10-13-27(25(15-21)18-30)35-20-26(32)19-31-29(2,3)17-22-9-12-23-7-5-6-8-24(23)16-22;/h5-10,12-13,15-16,26,31-32H,4,11,14,17,19-20H2,1-3H3;1H/t26-;/m1./s1
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| InChIKey |
IFWPZKFWNGLFCD-UFTMZEDQSA-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