General Information of the Compound
| Compound ID |
CP0847475
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| Compound Name |
N-[2-Hydroxy-5-(1-hydroxy-2-{1-[4-(2-imino-5-oxo-imidazolidin-4-ylmethyl)-phenyl]-piperidin-4-ylamino}-ethyl)-phenyl]-methanesulfonamide
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| Structure |
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| Formula |
C24H32N6O5S
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| Molecular Weight |
516.624
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(CC4N=C(N)NC4=O)cc3)CC2)ccc1O
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| InChI |
InChI=1S/C24H32N6O5S/c1-36(34,35)29-19-13-16(4-7-21(19)31)22(32)14-26-17-8-10-30(11-9-17)18-5-2-15(3-6-18)12-20-23(33)28-24(25)27-20/h2-7,13,17,20,22,26,29,31-32H,8-12,14H2,1H3,(H3,25,27,28,33)
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| InChIKey |
KYRYOXUPNCHZBS-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