General Information of the Compound
| Compound ID |
CP0443494
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| Compound Name |
3-[[1-[3-(3,5-dichlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H25Cl2N3O5
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| Molecular Weight |
578.452
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc2C(CCc2c1)n1nc(cc1-c1ccc2OCCOc2c1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C30H25Cl2N3O5/c31-21-12-20(13-22(32)15-21)24-16-26(18-3-6-27-28(14-18)40-10-9-39-27)35(34-24)25-5-2-17-11-19(1-4-23(17)25)30(38)33-8-7-29(36)37/h1,3-4,6,11-16,25H,2,5,7-10H2,(H,33,38)(H,36,37)
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| InChIKey |
MYQMQINOAGOJDJ-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