General Information of the Compound
| Compound ID |
CP0761783
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| Compound Name |
(S)-3-amino-N-(3-(N-(1-(4-(3-benzylureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)phenyl)propanamide
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| Structure |
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| Formula |
C32H40N8O5S
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| Molecular Weight |
648.79
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| Canonical SMILES |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(=O)NCc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C32H40N8O5S/c33-15-12-29(41)37-26-10-5-11-27(20-26)46(44,45)39-28(19-23-8-4-9-24(18-23)30(34)35)31(42)40-16-13-25(14-17-40)38-32(43)36-21-22-6-2-1-3-7-22/h1-11,18,20,25,28,39H,12-17,19,21,33H2,(H3,34,35)(H,37,41)(H2,36,38,43)/t28-/m0/s1
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| InChIKey |
ZMUOBGJRMXXDMR-NDEPHWFRSA-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