General Information of the Compound
| Compound ID |
CP0647821
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| Compound Name |
(1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-butyl}-piperidin-4-yl)-ethyl-carbamic acid benzyl ester
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| Structure |
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| Formula |
C37H42ClN5O4
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| Molecular Weight |
656.227
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| Canonical SMILES |
CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C37H42ClN5O4/c1-2-42(37(46)47-25-26-9-4-3-5-10-26)31-16-19-41(20-17-31)18-15-28(27-11-8-12-30(38)21-27)24-43-35(44)34(40-36(43)45)22-29-23-39-33-14-7-6-13-32(29)33/h3-14,21,23,28,31,34,39H,2,15-20,22,24-25H2,1H3,(H,40,45)/t28?,34-/m1/s1
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| InChIKey |
UYRIKGJBKKNPSC-UEQQQCIWSA-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