General Information of the Compound
| Compound ID |
CP0653196
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| Compound Name |
Allyl-(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 |
C39H45N5O4
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| Molecular Weight |
647.82
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| Canonical SMILES |
C=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/C39H45N5O4/c1-3-21-43(38(47)48-27-29-12-6-4-7-13-29)32-18-22-42(23-19-32)24-20-39(2,31-14-8-5-9-15-31)28-44-36(45)35(41-37(44)46)25-30-26-40-34-17-11-10-16-33(30)34/h3-17,26,32,35,40H,1,18-25,27-28H2,2H3,(H,41,46)/t35-,39?/m1/s1
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| InChIKey |
YSXFAOWWSOLDFZ-QQKHLPPFSA-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