General Information of the Compound
| Compound ID |
CP0139044
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| Compound Name |
5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
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| Structure |
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| Formula |
C28H42N6O4S
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| Molecular Weight |
558.749
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| Canonical SMILES |
CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C
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| InChI |
InChI=1S/C28H42N6O4S/c1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22/h10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37)/t20-/m1/s1
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| InChIKey |
UKQKNLSWCMOIOV-HXUWFJFHSA-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