General Information of the Compound
| Compound ID |
CP0281589
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| Compound Name |
(2S,4S)-1-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(2,4-dichloro-phenoxy)-piperidine-2-carboxylic acid
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| Structure |
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| Formula |
C35H39Cl2N3O6
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| Molecular Weight |
668.618
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| Canonical SMILES |
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](C[C@H]1C(O)=O)Oc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C35H39Cl2N3O6/c1-35(17-23-18-38-28-5-3-2-4-26(23)28,39-34(44)46-31-21-11-19-10-20(13-21)14-22(31)12-19)33(43)40-9-8-25(16-29(40)32(41)42)45-30-7-6-24(36)15-27(30)37/h2-7,15,18-22,25,29,31,38H,8-14,16-17H2,1H3,(H,39,44)(H,41,42)/t19?,20?,21?,22?,25-,29-,31?,35-/m0/s1
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| InChIKey |
IDKSGHOHJZZRDZ-JJKGTWHISA-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