General Information of the Compound
| Compound ID |
CP0892602
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| Compound Name |
(1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-butyl}-piperidin-4-yl)-ethyl-carbamic acid benzyl ester
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| Structure |
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| Formula |
C38H44ClN5O4
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| Molecular Weight |
670.254
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| Canonical SMILES |
CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C38H44ClN5O4/c1-3-43(37(47)48-25-27-10-5-4-6-11-27)31-16-19-42(20-17-31)21-18-38(2,29-12-9-13-30(39)23-29)26-44-35(45)34(41-36(44)46)22-28-24-40-33-15-8-7-14-32(28)33/h4-15,23-24,31,34,40H,3,16-22,25-26H2,1-2H3,(H,41,46)/t34-,38?/m1/s1
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| InChIKey |
YQCQEQGDXWNQQT-ZCJFERALSA-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