General Information of the Compound
| Compound ID |
CP0654010
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| Compound Name |
Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester
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| Structure |
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| Formula |
C38H45N5O4
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| Molecular Weight |
635.809
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| Canonical SMILES |
CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C38H45N5O4/c1-3-42(37(46)47-26-28-12-6-4-7-13-28)31-18-21-41(22-19-31)23-20-38(2,30-14-8-5-9-15-30)27-43-35(44)34(40-36(43)45)24-29-25-39-33-17-11-10-16-32(29)33/h4-17,25,31,34,39H,3,18-24,26-27H2,1-2H3,(H,40,45)/t34-,38?/m1/s1
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| InChIKey |
LUOBBLNPKHVPJK-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