General Information of the Compound
| Compound ID |
CP0458010
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| Compound Name |
(S)-1-(naphthalen-2-ylsulfonyl)-N-(1-(pyridin-3-ylmethyl)piperidin-4-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C26H30N4O3S
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| Molecular Weight |
478.618
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| Canonical SMILES |
O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H30N4O3S/c31-26(28-23-11-15-29(16-12-23)19-20-5-3-13-27-18-20)25-8-4-14-30(25)34(32,33)24-10-9-21-6-1-2-7-22(21)17-24/h1-3,5-7,9-10,13,17-18,23,25H,4,8,11-12,14-16,19H2,(H,28,31)/t25-/m0/s1
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| InChIKey |
RCZJRHNCCYAUQL-VWLOTQADSA-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