General Information of the Compound
| Compound ID |
CP0461292
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| Compound Name |
(2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-phenoxy-pyrrolidine-2-carboxylic acid
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| Formula |
C34H39N3O6
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| Molecular Weight |
585.701
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| Canonical SMILES |
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccccc1
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| InChI |
InChI=1S/C34H39N3O6/c1-34(17-24-18-35-28-10-6-5-9-27(24)28,36-33(41)43-30-22-12-20-11-21(14-22)15-23(30)13-20)32(40)37-19-26(16-29(37)31(38)39)42-25-7-3-2-4-8-25/h2-10,18,20-23,26,29-30,35H,11-17,19H2,1H3,(H,36,41)(H,38,39)/t20-,21+,22-,23+,26-,29-,30?,34-/m1/s1
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| InChIKey |
LHVGZIIAYJDNGW-WRNQCIFOSA-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