General Information of the Compound
| Compound ID |
CP0521251
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| Compound Name |
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methylpyridin-3-yl)methyl-(pyridin-3-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C30H38ClN7O2
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| Molecular Weight |
564.134
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| Canonical SMILES |
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C30H38ClN7O2/c1-20-7-12-33-17-24(20)19-38(30(40)36-25-6-5-11-32-18-25)26-9-14-37(15-10-26)22(3)8-13-34-29(39)28-21(2)16-27(31)35-23(28)4/h5-7,11-12,16-18,22,26H,8-10,13-15,19H2,1-4H3,(H,34,39)(H,36,40)/t22-/m1/s1
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| InChIKey |
YFCXGZOWAVGWJN-JOCHJYFZSA-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