General Information of the Compound
| Compound ID |
CP0412800
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-4-methyl-5-(1-methylindol-5-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H28Cl2N4O3
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| Molecular Weight |
575.496
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(c(C)c1-c1ccc2n(C)ccc2c1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C31H28Cl2N4O3/c1-18-29(24-15-25(32)17-26(33)16-24)35-37(30(18)23-8-9-27-22(14-23)11-13-36(27)3)19(2)20-4-6-21(7-5-20)31(40)34-12-10-28(38)39/h4-9,11,13-17,19H,10,12H2,1-3H3,(H,34,40)(H,38,39)
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| InChIKey |
UHEZVZGGAKOYPQ-UHFFFAOYSA-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