General Information of the Compound
| Compound ID |
CP0515495
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| Compound Name |
N-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
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| Structure |
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| Formula |
C24H15ClFN5O3S
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| Molecular Weight |
507.934
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| Canonical SMILES |
Fc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc2c1=O
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| InChI |
InChI=1S/C24H15ClFN5O3S/c25-13-5-10-18-19(11-13)35-24(28-18)29-20(32)12-27-22(33)21-16-3-1-2-4-17(16)23(34)31(30-21)15-8-6-14(26)7-9-15/h1-11H,12H2,(H,27,33)(H,28,29,32)
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| InChIKey |
UDEATXOPHSZIOH-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