General Information of the Compound
| Compound ID |
CP0925794
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| Compound Name |
Benzo[1,3]dioxole-5-carboxylic acid ((S)-1-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-3-methyl-butyl)-amide
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| Structure |
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| Formula |
C30H42N4O5
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| Molecular Weight |
538.689
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
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| InChI |
InChI=1S/C30H42N4O5/c1-21(2)16-26(32-29(35)23-8-11-27-28(17-23)39-20-38-27)30(36)31-24-12-14-34(19-24)18-22-6-9-25(10-7-22)37-15-5-13-33(3)4/h6-11,17,21,24,26H,5,12-16,18-20H2,1-4H3,(H,31,36)(H,32,35)/t24-,26-/m0/s1
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| InChIKey |
HZWJLPCVDQVUIQ-AHWVRZQESA-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