General Information of the Compound
| Compound ID |
CP0709779
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| Compound Name |
(S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(4-(3-ethylureido)piperidin-1-yl)-1-oxopropan-2-yl)sulfamoyl)phenyl)propanamide
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| Structure |
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| Formula |
C27H38N8O5S
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| Molecular Weight |
586.719
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| Canonical SMILES |
CCNC(=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/C27H38N8O5S/c1-2-31-27(38)33-20-10-13-35(14-11-20)26(37)23(16-18-5-3-6-19(15-18)25(29)30)34-41(39,40)22-8-4-7-21(17-22)32-24(36)9-12-28/h3-8,15,17,20,23,34H,2,9-14,16,28H2,1H3,(H3,29,30)(H,32,36)(H2,31,33,38)/t23-/m0/s1
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| InChIKey |
HXJSCKUUXFBBMG-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