General Information of the Compound
| Compound ID |
CP0209063
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| Compound Name |
(2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(4-nitro-phenoxy)-pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C34H38N4O8
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| Molecular Weight |
630.698
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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(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C34H38N4O8/c1-34(16-23-17-35-28-5-3-2-4-27(23)28,36-33(42)46-30-21-11-19-10-20(13-21)14-22(30)12-19)32(41)37-18-26(15-29(37)31(39)40)45-25-8-6-24(7-9-25)38(43)44/h2-9,17,19-22,26,29-30,35H,10-16,18H2,1H3,(H,36,42)(H,39,40)/t19?,20?,21?,22?,26-,29-,30?,34-/m1/s1
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| InChIKey |
JBOZISILCXWMLQ-MBYKYYSPSA-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