General Information of the Compound
| Compound ID |
CP0507536
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| Compound Name |
5-fluoranyl-N-[2-[1-(3-fluorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1H-indole-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid
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| Structure |
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| Formula |
C24H25F2N5O2
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| Molecular Weight |
453.493
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| Canonical SMILES |
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1
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| InChI |
InChI=1S/C24H25F2N5O2/c25-17-2-1-3-19(14-17)31-15-28-23(33)24(31)6-9-30(10-7-24)11-8-27-22(32)21-13-16-12-18(26)4-5-20(16)29-21/h1-5,12-14,29H,6-11,15H2,(H,27,32)(H,28,33)
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| InChIKey |
QUYIDBQRQADSRU-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