General Information of the Compound
| Compound ID |
CP0402911
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| Compound Name |
3-[[1-[3-(3,5-dichlorophenyl)-5-phenylpyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C28H23Cl2N3O3
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| Molecular Weight |
520.416
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc2C(CCc2c1)n1nc(cc1-c1ccccc1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C28H23Cl2N3O3/c29-21-13-20(14-22(30)15-21)24-16-26(17-4-2-1-3-5-17)33(32-24)25-9-7-18-12-19(6-8-23(18)25)28(36)31-11-10-27(34)35/h1-6,8,12-16,25H,7,9-11H2,(H,31,36)(H,34,35)
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| InChIKey |
RTNIRCAEPMWZSM-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