General Information of the Compound
| Compound ID |
CP0412876
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| Compound Name |
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
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| Structure |
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| Formula |
C23H24Cl2N4O4
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| Molecular Weight |
491.375
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| Canonical SMILES |
O[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H24Cl2N4O4/c24-19-6-5-16(11-20(19)25)33-15-7-9-29(10-8-15)13-14(30)12-26-23(32)21-17-3-1-2-4-18(17)22(31)28-27-21/h1-6,11,14-15,30H,7-10,12-13H2,(H,26,32)(H,28,31)/t14-/m1/s1
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| InChIKey |
XBJQRDCFABQBGT-CQSZACIVSA-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2