General Information of the Compound
| Compound ID |
CP0846717
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| Compound Name |
1-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)hydrazinecarbonothioyl)indoline-5-carboxylic acid
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| Formula |
C25H25N5O3S
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| Molecular Weight |
475.574
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| Canonical SMILES |
CC1=NN(c2ccc3c(c2)CCC3)C(=O)/C1=C(/C)NNC(=S)N1CCc2cc(C(=O)O)ccc21
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| InChI |
InChI=1S/C25H25N5O3S/c1-14(26-27-25(34)29-11-10-18-12-19(24(32)33)7-9-21(18)29)22-15(2)28-30(23(22)31)20-8-6-16-4-3-5-17(16)13-20/h6-9,12-13,26H,3-5,10-11H2,1-2H3,(H,27,34)(H,32,33)/b22-14-
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| InChIKey |
VGABBPNDLHRNOQ-HMAPJEAMSA-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