General Information of the Compound
| Compound ID |
CP0501656
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| Compound Name |
4-Amino-N-(3-{(R)-1-hydroxy-2-[2-(7-methanesulfonyl-1H-indol-3-yl)-ethylamino]-ethyl}-phenyl)-benzenesulfonamide
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| Structure |
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| Formula |
C25H28N4O5S2
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| Molecular Weight |
528.656
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| Canonical SMILES |
CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccc(N)cc4)c3)c[nH]c12
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| InChI |
InChI=1S/C25H28N4O5S2/c1-35(31,32)24-7-3-6-22-18(15-28-25(22)24)12-13-27-16-23(30)17-4-2-5-20(14-17)29-36(33,34)21-10-8-19(26)9-11-21/h2-11,14-15,23,27-30H,12-13,16,26H2,1H3/t23-/m0/s1
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| InChIKey |
YZDJJDUQLKLKMJ-QHCPKHFHSA-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