General Information of the Compound
| Compound ID |
CP0152549
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| Compound Name |
benzyl N-[(3R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-3-yl]carbamate
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| Structure |
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| Formula |
C33H35N5O5S
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| Molecular Weight |
613.74
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| Canonical SMILES |
NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H](C2)NC(=O)OCc2ccccc2)c1
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| InChI |
InChI=1S/C33H35N5O5S/c34-31(35)27-13-6-10-24(18-27)19-30(37-44(41,42)29-16-15-25-11-4-5-12-26(25)20-29)32(39)38-17-7-14-28(21-38)36-33(40)43-22-23-8-2-1-3-9-23/h1-6,8-13,15-16,18,20,28,30,37H,7,14,17,19,21-22H2,(H3,34,35)(H,36,40)/t28-,30+/m1/s1
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| InChIKey |
UKDJOYOHJVUIJF-DGPALRBDSA-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