General Information of the Compound
| Compound ID |
CP0503922
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| Compound Name |
(R)-(3-methyl-4-(8-phenylpyrido[3,2-d]pyridazin-5-yl)piperazin-1-yl)(phenyl)methanone
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| Structure |
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| Formula |
C25H23N5O
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| Molecular Weight |
409.493
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ncccc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C25H23N5O/c1-18-17-29(25(31)20-11-6-3-7-12-20)15-16-30(18)24-21-13-8-14-26-23(21)22(27-28-24)19-9-4-2-5-10-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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| InChIKey |
OXMUCRYLSXXWCZ-GOSISDBHSA-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