General Information of the Compound
| Compound ID |
CP0334636
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| Compound Name |
benzyl N-[(3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidin-3-yl]carbamate
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| Structure |
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| Formula |
C30H35N5O5S
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| Molecular Weight |
577.707
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC[C@@H](C1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C30H35N5O5S/c1-21-12-14-26(15-13-21)41(38,39)34-27(18-23-9-5-10-24(17-23)28(31)32)29(36)35-16-6-11-25(19-35)33-30(37)40-20-22-7-3-2-4-8-22/h2-5,7-10,12-15,17,25,27,34H,6,11,16,18-20H2,1H3,(H3,31,32)(H,33,37)/t25-,27-/m0/s1
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| InChIKey |
FDMCELUWEUVTNC-BDYUSTAISA-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