General Information of the Compound
| Compound ID |
CP0709774
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| Compound Name |
(S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(4-(2-(3-methylureido)ethyl)piperidin-1-yl)-1-oxopropan-2-yl)sulfamoyl)phenyl)propanamide
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| Structure |
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| Formula |
C28H40N8O5S
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| Molecular Weight |
600.746
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| Canonical SMILES |
CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1
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| InChI |
InChI=1S/C28H40N8O5S/c1-32-28(39)33-13-9-19-10-14-36(15-11-19)27(38)24(17-20-4-2-5-21(16-20)26(30)31)35-42(40,41)23-7-3-6-22(18-23)34-25(37)8-12-29/h2-7,16,18-19,24,35H,8-15,17,29H2,1H3,(H3,30,31)(H,34,37)(H2,32,33,39)/t24-/m0/s1
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| InChIKey |
VEYZPZWWGJRHSB-DEOSSOPVSA-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