General Information of the Compound
| Compound ID |
CP0925796
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| Compound Name |
Thiophene-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 |
C27H40N4O3S
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| Molecular Weight |
500.709
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
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| InChI |
InChI=1S/C27H40N4O3S/c1-20(2)17-24(29-27(33)25-7-5-16-35-25)26(32)28-22-12-14-31(19-22)18-21-8-10-23(11-9-21)34-15-6-13-30(3)4/h5,7-11,16,20,22,24H,6,12-15,17-19H2,1-4H3,(H,28,32)(H,29,33)/t22-,24-/m0/s1
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| InChIKey |
FBIXVVSBGBUTAX-UPVQGACJSA-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