General Information of the Compound
| Compound ID |
CP0446179
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| Compound Name |
6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
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| Structure |
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| Formula |
C25H36ClN5O2S
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| Molecular Weight |
506.116
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| Canonical SMILES |
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)N(C)C
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| InChI |
InChI=1S/C25H36ClN5O2S/c1-17-14-22(26)28-19(3)23(17)24(32)27-10-6-18(2)30-11-7-21(8-12-30)31(25(33)29(4)5)15-20-9-13-34-16-20/h9,13-14,16,18,21H,6-8,10-12,15H2,1-5H3,(H,27,32)/t18-/m1/s1
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| InChIKey |
UNRRILBYCRANNY-GOSISDBHSA-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