General Information of the Compound
| Compound ID |
CP0415349
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| Compound Name |
N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C25H26ClN5O2
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| Molecular Weight |
463.969
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| Canonical SMILES |
Clc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
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| InChI |
InChI=1S/C25H26ClN5O2/c26-20-5-7-21(8-6-20)31-17-29-24(33)25(31)9-12-30(13-10-25)14-11-27-23(32)19-15-18-3-1-2-4-22(18)28-16-19/h1-8,15-16H,9-14,17H2,(H,27,32)(H,29,33)
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| InChIKey |
NYWWESRCTDAIHV-UHFFFAOYSA-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
Protein ID: PT01943, Phospholipase D1
Protein ID: PT01153, Phospholipase D2