General Information of the Compound
| Compound ID |
CP0185167
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| Compound Name |
3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenecarboximidamide
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| Structure |
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| Formula |
C30H31N5O3S
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| Molecular Weight |
541.677
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| Canonical SMILES |
NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)/t28-/m0/s1
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| InChIKey |
FVLGQHJQXSNNFU-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