General Information of the Compound
| Compound ID |
CP0875087
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| Compound Name |
Quinoline-2-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 |
C32H43N5O3
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| Molecular Weight |
545.728
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
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| InChI |
InChI=1S/C32H43N5O3/c1-23(2)20-30(35-31(38)29-15-12-25-8-5-6-9-28(25)34-29)32(39)33-26-16-18-37(22-26)21-24-10-13-27(14-11-24)40-19-7-17-36(3)4/h5-6,8-15,23,26,30H,7,16-22H2,1-4H3,(H,33,39)(H,35,38)/t26-,30-/m0/s1
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| InChIKey |
ASRPYBALJOUGHC-YZNIXAGQSA-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