General Information of the Compound
| Compound ID |
CP0507935
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| Compound Name |
N-[(1S)-2-[1-(3-fluorophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-8-yl]-1-methyl-ethyl]-2-naphthamide;2,2,2-trifluoroacetic acid
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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)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H29FN4O2/c1-19(30-25(33)22-10-9-20-5-2-3-6-21(20)15-22)17-31-13-11-27(12-14-31)26(34)29-18-32(27)24-8-4-7-23(28)16-24/h2-10,15-16,19H,11-14,17-18H2,1H3,(H,29,34)(H,30,33)/t19-/m0/s1
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| InChIKey |
MNKBFXBSNSUUTP-IBGZPJMESA-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