General Information of the Compound
| Compound ID |
CP0938185
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| Compound Name |
trans-N-((3R,4R)-3-((2-(Dimethylamino)ethyl)carbamoyl)-1-(phenylsulfonyl)piperidin-4-yl)-5-methyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C26H33N5O4S
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| Molecular Weight |
511.648
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| Canonical SMILES |
Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1
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| InChI |
InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23-/m1/s1
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| InChIKey |
KDSBEDWVRJKILQ-FYYLOGMGSA-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