General Information of the Compound
| Compound ID |
CP0654194
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| Compound Name |
Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-butyl}-piperidin-4-yl)-carbamic acid benzyl ester
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| Structure |
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| Formula |
C38H42ClN5O4
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| Molecular Weight |
668.238
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| Canonical SMILES |
C=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/C38H42ClN5O4/c1-2-18-43(38(47)48-26-27-9-4-3-5-10-27)32-16-20-42(21-17-32)19-15-29(28-11-8-12-31(39)22-28)25-44-36(45)35(41-37(44)46)23-30-24-40-34-14-7-6-13-33(30)34/h2-14,22,24,29,32,35,40H,1,15-21,23,25-26H2,(H,41,46)/t29?,35-/m1/s1
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| InChIKey |
NFDWHZURYHOESQ-LMZJGDDPSA-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