General Information of the Compound
| Compound ID |
CP0014937
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[3-[[4-[[(2S)-1,4-dioxan-2-yl]methylamino]phenyl]carbamoyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C29H33N7O6
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| Molecular Weight |
578.6443053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(NC[C@H]3COCCO3)cc2)c1OC
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| InChI |
InChI=1S/C29H33N7O6/c1-30-29(39)25-23(14-24(35-36-25)34-27(37)17-6-7-17)33-22-5-3-4-21(26(22)40-2)28(38)32-19-10-8-18(9-11-19)31-15-20-16-41-12-13-42-20/h3-5,8-11,14,17,20,31H,6-7,12-13,15-16H2,1-2H3,(H,30,39)(H,32,38)(H2,33,34,35,37)/t20-/m0/s1/i1D3
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| InChIKey |
ITHVYCKTQCDGNM-ZNCSYKOHSA-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