General Information of the Compound
| Compound ID |
CP0428583
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| Compound Name |
1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
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| Synonyms |
1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
1-benzyl-4-(4-phenylpiperazino)phthalazine
320418-04-0
AC1O4EAW
AKOS005082019
BDBM50269040
CHEMBL496013
KS-000031YH
Oprea1_653246
SCHEMBL13444952
ZINC1393434
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| Structure |
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| Formula |
C25H24N4
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| Molecular Weight |
380.495
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| Canonical SMILES |
C(c1ccccc1)c1nnc(N2CCN(CC2)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-24-22-13-7-8-14-23(22)25(27-26-24)29-17-15-28(16-18-29)21-11-5-2-6-12-21/h1-14H,15-19H2
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| InChIKey |
PMNLMFUHSIYHHB-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: PT02397, Protein smoothened
Protein ID: PT04361, Protein smoothened
Clinical Information about the Compound