General Information of the Compound
| Compound ID |
CP0507836
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| Compound Name |
(S)-2-((4R,5R)-5-(2-(1H-indol-3-yl)ethylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C31H29Cl2N3O7
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| Molecular Weight |
626.493
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C31H29Cl2N3O7/c32-23-5-3-6-24(33)22(23)16-41-20-10-8-18(9-11-20)14-26(31(39)40)36-30(38)28-27(42-17-43-28)29(37)34-13-12-19-15-35-25-7-2-1-4-21(19)25/h1-11,15,26-28,35H,12-14,16-17H2,(H,34,37)(H,36,38)(H,39,40)/t26-,27+,28+/m0/s1
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| InChIKey |
WSLYGTJBLAWGMH-UPRLRBBYSA-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