General Information of the Compound
| Compound ID |
CP0409202
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| Compound Name |
(2S)-2-[[2-(2,5-dichlorophenyl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
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| Structure |
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| Formula |
C30H26Cl2N2O4
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| Molecular Weight |
549.454
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| Canonical SMILES |
Clc1ccc(Cl)c(CC(=O)N[C@@H](COCc2ccccc2)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C30H26Cl2N2O4/c31-23-11-16-27(32)22(17-23)18-29(35)34-28(20-37-19-21-7-3-1-4-8-21)30(36)33-24-12-14-26(15-13-24)38-25-9-5-2-6-10-25/h1-17,28H,18-20H2,(H,33,36)(H,34,35)/t28-/m0/s1
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| InChIKey |
KVHPPXUJQWDHHM-NDEPHWFRSA-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