General Information of the Compound
| Compound ID |
CP0061999
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| Compound Name |
(R)-(4-(4-(4-tert-butylphenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
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| Structure |
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| Formula |
C30H32N4O
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| Molecular Weight |
464.613
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(C)(C)C)c2ccccc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C30H32N4O/c1-21-20-33(29(35)23-10-6-5-7-11-23)18-19-34(21)28-26-13-9-8-12-25(26)27(31-32-28)22-14-16-24(17-15-22)30(2,3)4/h5-17,21H,18-20H2,1-4H3/t21-/m1/s1
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| InChIKey |
VRSCFUXNCAWXED-OAQYLSRUSA-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