General Information of the Compound
| Compound ID |
CP0075307
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| Compound Name |
(S)-(2-methyl-4-(4-(pyridin-4-yl)phthalazin-1-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(CCN1C(=O)c1ccccc1)c1nnc(-c2ccncc2)c2ccccc12
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| InChI |
InChI=1S/C25H23N5O/c1-18-17-29(15-16-30(18)25(31)20-7-3-2-4-8-20)24-22-10-6-5-9-21(22)23(27-28-24)19-11-13-26-14-12-19/h2-14,18H,15-17H2,1H3/t18-/m0/s1
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| InChIKey |
MQYNXJPLIZPLLU-SFHVURJKSA-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