General Information of the Compound
| Compound ID |
CP0920375
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| Compound Name |
N'-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)-5-(morpholine-4-carbonyl)indoline-1-carbothiohydrazide
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| Formula |
C28H32N6O3S
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| Molecular Weight |
532.67
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| Canonical SMILES |
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C(/C)NNC(=S)N1CCc2cc(C(=O)N3CCOCC3)ccc21
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| InChI |
InChI=1S/C28H32N6O3S/c1-17-5-7-23(15-18(17)2)34-27(36)25(20(4)31-34)19(3)29-30-28(38)33-10-9-21-16-22(6-8-24(21)33)26(35)32-11-13-37-14-12-32/h5-8,15-16,29H,9-14H2,1-4H3,(H,30,38)/b25-19-
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| InChIKey |
ZBCZFPJRXQRPGM-PLRJNAJWSA-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