General Information of the Compound
| Compound ID |
CP0577499
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| Compound Name |
4-[3-[[4-[[(2S)-1,4-dioxan-2-yl]methylamino]phenyl]carbamoyl]-2-methoxyanilino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C30H32N8O5
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| Molecular Weight |
587.6553053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)Nc2ccc(NC[C@H]3COCCO3)cc2)c1OC
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| InChI |
InChI=1S/C30H32N8O5/c1-31-30(40)27-24(16-26(37-38-27)36-25-8-3-4-13-32-25)35-23-7-5-6-22(28(23)41-2)29(39)34-20-11-9-19(10-12-20)33-17-21-18-42-14-15-43-21/h3-13,16,21,33H,14-15,17-18H2,1-2H3,(H,31,40)(H,34,39)(H2,32,35,36,37)/t21-/m0/s1/i1D3
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| InChIKey |
SWCLKOGMRYVLEF-SHKVTDPKSA-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