General Information of the Compound
| Compound ID |
CP0123919
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| Compound Name |
(2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(2,4-dichloro-phenoxy)-pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C34H37Cl2N3O6
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| Molecular Weight |
654.591
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| Canonical SMILES |
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C34H37Cl2N3O6/c1-34(15-22-16-37-27-5-3-2-4-25(22)27,38-33(43)45-30-20-9-18-8-19(11-20)12-21(30)10-18)32(42)39-17-24(14-28(39)31(40)41)44-29-7-6-23(35)13-26(29)36/h2-7,13,16,18-21,24,28,30,37H,8-12,14-15,17H2,1H3,(H,38,43)(H,40,41)/t18?,19?,20?,21?,24-,28-,30?,34-/m1/s1
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| InChIKey |
SIHQTWQYBHVGEP-VGIXQKKKSA-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