General Information of the Compound
| Compound ID |
CP0576990
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[[4-(1,3-thiazolidine-3-carbonyl)phenyl]carbamoyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C28H29N7O5S
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| Molecular Weight |
578.6693053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2CCSC2)c1OC
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| InChI |
InChI=1S/C28H29N7O5S/c1-29-27(38)23-21(14-22(33-34-23)32-25(36)16-6-7-16)31-20-5-3-4-19(24(20)40-2)26(37)30-18-10-8-17(9-11-18)28(39)35-12-13-41-15-35/h3-5,8-11,14,16H,6-7,12-13,15H2,1-2H3,(H,29,38)(H,30,37)(H2,31,32,33,36)/i1D3
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| InChIKey |
USCJNFHZPVWTEF-FIBGUPNXSA-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