General Information of the Compound
| Compound ID |
CP0899554
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| Compound Name |
(S)-2-(2-Benzo[1,3]dioxol-5-yl-acetylamino)-4-methyl-pentanoic acid {(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-amide
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| Structure |
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| Formula |
C31H44N4O5
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| Molecular Weight |
552.716
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
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| InChI |
InChI=1S/C31H44N4O5/c1-22(2)16-27(33-30(36)18-24-8-11-28-29(17-24)40-21-39-28)31(37)32-25-12-14-35(20-25)19-23-6-9-26(10-7-23)38-15-5-13-34(3)4/h6-11,17,22,25,27H,5,12-16,18-21H2,1-4H3,(H,32,37)(H,33,36)/t25-,27-/m0/s1
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| InChIKey |
FIJHMGZJAOFINH-BDYUSTAISA-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