General Information of the Compound
| Compound ID |
CP0916658
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| Compound Name |
N-((S)-1-{(S)-1-[4-(3-Dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-3-methyl-butyl)-isonicotinamide
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| Structure |
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| Formula |
C28H41N5O3
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| Molecular Weight |
495.668
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1ccncc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
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| InChI |
InChI=1S/C28H41N5O3/c1-21(2)18-26(31-27(34)23-10-13-29-14-11-23)28(35)30-24-12-16-33(20-24)19-22-6-8-25(9-7-22)36-17-5-15-32(3)4/h6-11,13-14,21,24,26H,5,12,15-20H2,1-4H3,(H,30,35)(H,31,34)/t24-,26-/m0/s1
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| InChIKey |
VFEIILTWNXAIFK-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