General Information of the Compound
Compound ID |
CP0010656
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Compound Name |
3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
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Synonyms |
Invega Sustenna
JNS-010
Paliperidone
Paliperidone (depot injection, NanoCrystal)
Paliperidone (depot injection, NanoCrystal), Johnson & Johnson
Paliperidone (injectable, NanoCrystal), Elan
Paliperidone palmitate
Xeplion
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Structure |
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Formula |
C23H27FN4O3
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Molecular Weight |
426.492
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Canonical SMILES |
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
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InChI |
InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
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InChIKey |
PMXMIIMHBWHSKN-UHFFFAOYSA-N
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CAS |
130049-84-2
130049-86-4
144598-75-4
147687-18-1
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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
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: PT03002, Potassium voltage-gated channel subfamily D member 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Clinical Information about the Compound