General Information of the Compound
| Compound ID |
CP0569020
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| Compound Name |
ethyl 6-[(2R)-4-(4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carboxylate
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| Structure |
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| Formula |
C28H29N5O2
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| Molecular Weight |
467.573
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| Canonical SMILES |
CCOC(=O)c1ccc(nc1)N1CCN(C[C@H]1C)c1nnc(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C28H29N5O2/c1-3-35-28(34)22-13-14-26(29-18-22)33-16-15-32(19-20(33)2)27-24-12-8-7-11-23(24)25(30-31-27)17-21-9-5-4-6-10-21/h4-14,18,20H,3,15-17,19H2,1-2H3/t20-/m1/s1
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| InChIKey |
AZTPRIPWSNDKNT-HXUWFJFHSA-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