General Information of the Compound
| Compound ID |
CP0333253
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| Compound Name |
3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
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| Structure |
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| Formula |
C22H23N7O2S
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| Molecular Weight |
449.54
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| Canonical SMILES |
CC1=CC(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)=NC1
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| InChI |
InChI=1S/C22H23N7O2S/c1-14-12-18(24-13-14)27-19(30)8-10-23-21(31)28-22-26-15(2)20(32-22)16-4-6-17(7-5-16)29-11-3-9-25-29/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,24,27,30)(H2,23,26,28,31)
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| InChIKey |
GDCLFZCJOSSQDX-UHFFFAOYSA-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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