General Information of the Compound
| Compound ID |
CP0404592
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| Compound Name |
(2R,4S)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(2,4-dichloro-phenoxy)-piperidine-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C36H41Cl2N3O6
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| Molecular Weight |
682.645
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| Canonical SMILES |
COC(=O)[C@H]1C[C@H](CCN1C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)Oc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C36H41Cl2N3O6/c1-36(18-24-19-39-29-6-4-3-5-27(24)29,40-35(44)47-32-22-12-20-11-21(14-22)15-23(32)13-20)34(43)41-10-9-26(17-30(41)33(42)45-2)46-31-8-7-25(37)16-28(31)38/h3-8,16,19-23,26,30,32,39H,9-15,17-18H2,1-2H3,(H,40,44)/t20?,21?,22?,23?,26-,30+,32?,36+/m0/s1
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| InChIKey |
LGUZUQRRDPFPLR-DUYFKMEFSA-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