General Information of the Compound
| Compound ID |
CP0206875
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| Compound Name |
3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzenecarboximidamide
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| Structure |
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| Formula |
C31H32N4O3S
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| Molecular Weight |
540.689
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| Canonical SMILES |
NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C31H32N4O3S/c32-30(33)27-12-6-7-22(19-27)20-29(31(36)35-17-15-25(16-18-35)23-8-2-1-3-9-23)34-39(37,38)28-14-13-24-10-4-5-11-26(24)21-28/h1-14,19,21,25,29,34H,15-18,20H2,(H3,32,33)/t29-/m0/s1
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| InChIKey |
BXZHVTJFVSGDSS-LJAQVGFWSA-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