General Information of the Compound
| Compound ID |
CP0566425
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| Compound Name |
N-[1-[3-[1-(3,4-dichloroanilino)-5-oxo-8,9-dihydro-7H-pyrido[4,3-c]azepin-6-yl]propyl]piperidin-4-yl]methanesulfonamide
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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 |
CS(=O)(=O)NC1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1
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| InChI |
InChI=1S/C24H31Cl2N5O3S/c1-35(33,34)29-17-8-14-30(15-9-17)11-3-13-31-12-2-4-19-20(24(31)32)7-10-27-23(19)28-18-5-6-21(25)22(26)16-18/h5-7,10,16-17,29H,2-4,8-9,11-15H2,1H3,(H,27,28)
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| InChIKey |
WGXRDTYAAXPNNX-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