General Information of the Compound
| Compound ID |
CP0485564
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| Compound Name |
N-[1-[3-[5-(3,4-dichloroanilino)-1-oxo-3,4-dihydro-2,6-naphthyridin-2-yl]propyl]piperidin-4-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C24H31Cl2N5O3S
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| Molecular Weight |
540.517
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| Canonical SMILES |
CN(C1CCN(CCCN2CCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H31Cl2N5O3S/c1-29(35(2,33)34)18-7-13-30(14-8-18)11-3-12-31-15-9-19-20(24(31)32)6-10-27-23(19)28-17-4-5-21(25)22(26)16-17/h4-6,10,16,18H,3,7-9,11-15H2,1-2H3,(H,27,28)
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| InChIKey |
CKMBPQSEYXQRFM-UHFFFAOYSA-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