General Information of the Compound
| Compound ID |
CP0486975
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| Compound Name |
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methylpyridin-3-yl)methyl-[2-(oxan-4-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C31H44ClN5O3
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| Molecular Weight |
570.178
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| Canonical SMILES |
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)CC1CCOCC1
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| InChI |
InChI=1S/C31H44ClN5O3/c1-21-5-11-33-19-26(21)20-37(29(38)18-25-9-15-40-16-10-25)27-7-13-36(14-8-27)23(3)6-12-34-31(39)30-22(2)17-28(32)35-24(30)4/h5,11,17,19,23,25,27H,6-10,12-16,18,20H2,1-4H3,(H,34,39)/t23-/m1/s1
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| InChIKey |
GMQFBAWGLGVDPZ-HSZRJFAPSA-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