General Information of the Compound
| Compound ID |
CP0521139
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| Compound Name |
N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C26H27FN4O2
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| Molecular Weight |
446.526
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| Canonical SMILES |
OC1=NC[C@@H](c2ccc(F)cc2)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
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| InChI |
InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m0/s1
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| InChIKey |
BAHMBPJZGYBLIO-QFIPXVFZSA-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