General Information of the Compound
| Compound ID |
CP0551528
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| Compound Name |
4-[4-[(1S,2S,4S)-4-amino-2-carboxycyclopentyl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C30H24F3NO4
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| Molecular Weight |
519.519
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| Canonical SMILES |
N[C@@H]1C[C@@H]([C@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C30H24F3NO4/c31-30(32,33)22-8-5-16(6-9-22)19-7-10-24-20(11-19)12-21(28(35)36)13-25(24)17-1-3-18(4-2-17)26-14-23(34)15-27(26)29(37)38/h1-13,23,26-27H,14-15,34H2,(H,35,36)(H,37,38)/t23-,26+,27-/m0/s1
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| InChIKey |
JVFPXXORCCXQLQ-RNJDCESWSA-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: PT05244, P2Y purinoceptor 14
Protein ID: PT05434, P2Y purinoceptor 14