General Information of the Compound
| Compound ID |
CP0673480
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| Compound Name |
(S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(4-(3-methylureido)piperidin-1-yl)-1-oxopropan-2-yl)sulfamoyl)phenyl)propanamide
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| Structure |
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| Formula |
C26H36N8O5S
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| Molecular Weight |
572.692
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| Canonical SMILES |
CNC(=O)NC1CCN(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/C26H36N8O5S/c1-30-26(37)32-19-9-12-34(13-10-19)25(36)22(15-17-4-2-5-18(14-17)24(28)29)33-40(38,39)21-7-3-6-20(16-21)31-23(35)8-11-27/h2-7,14,16,19,22,33H,8-13,15,27H2,1H3,(H3,28,29)(H,31,35)(H2,30,32,37)/t22-/m0/s1
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| InChIKey |
WTLRKSGLZPGDIB-QFIPXVFZSA-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