General Information of the Compound
| Compound ID |
CP0519310
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| Compound Name |
N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C27H29FN4O2
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| Molecular Weight |
460.553
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C27H29FN4O2/c1-18(31-25(33)21-14-20-4-2-3-5-24(20)29-15-21)17-32-12-10-27(11-13-32)23(16-30-26(27)34)19-6-8-22(28)9-7-19/h2-9,14-15,18,23H,10-13,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23-/m0/s1
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| InChIKey |
VALMDDHRZJXVOR-MBSDFSHPSA-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