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ML130 (Nodinitib-1),NOD1抑制剂CAS号 : 799264-47-4 Compound CID : 1088438分子式: C14H13N3O2S 分子量: 287.34IUPAC Name: 1-(4-methylphenyl)sulfonylbenzimidazol-2-amineSMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2NInChIKey: SRFABRWQVPCPRG-UHFFFAOYSA-NInChI: InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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来他替尼CAS号 : 111358-88-4 Compound CID : 126565分子式: C26H21N3O4 分子量: 439.46IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-oneSMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)OInChIKey: UIARLYUEJFELEN-LROUJFHJSA-NInChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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VerdiperstatCAS号 : 890655-80-8 Compound CID : 11528958分子式: C11H15N3O2S 分子量: 253.32IUPAC Name: 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-oneSMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2InChIKey: FVJCUZCRPIMVLB-UHFFFAOYSA-NInChI: InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
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MPO-IN-28CAS号 : 37836-90-1 Compound CID : 2835211分子式: C11H13N5O 分子量: 231.25IUPAC Name: 2-(7-methoxy-4-methylquinazolin-2-yl)guanidineSMILES: CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OCInChIKey: ZJBMSSBTCGJZEE-UHFFFAOYSA-NInChI: InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
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PF-06282999CAS号 : 1435467-37-0 Compound CID : 71571306分子式: C13H12ClN3O3S 分子量: 325.77IUPAC Name: 2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamideSMILES: COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)NInChIKey: ICYNYWFGIDGBRD-UHFFFAOYSA-NInChI: InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
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MPO-IN-28CAS号 : 37836-90-1 Compound CID : 2835211分子式: C11H13N5O 分子量: 231.25IUPAC Name: 2-(7-methoxy-4-methylquinazolin-2-yl)guanidineSMILES: CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OCInChIKey: ZJBMSSBTCGJZEE-UHFFFAOYSA-NInChI: InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
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PF-06282999CAS号 : 1435467-37-0 Compound CID : 71571306分子式: C13H12ClN3O3S 分子量: 325.77IUPAC Name: 2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamideSMILES: COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)NInChIKey: ICYNYWFGIDGBRD-UHFFFAOYSA-NInChI: InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
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维迪珀斯塔CAS号 : 890655-80-8 Compound CID : 11528958分子式: C11H15N3O2S 分子量: 253.32IUPAC Name: 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-oneSMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2InChIKey: FVJCUZCRPIMVLB-UHFFFAOYSA-NInChI: InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
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GSK717CAS号 : 1595278-21-9(DMSO)分子式: C28H28N4O2 分子量: 452.5SMILES: CN(CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(CCC4)C=C3)C(=O)C5=CC=CC=C5
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GSK717CAS号 : 1595278-21-9 Compound CID : 102369397分子式: C28H28N4O2 分子量: 452.5IUPAC Name: N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylbenzamideSMILES: CN(CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(CCC4)C=C3)C(=O)C5=CC=CC=C5InChIKey: YDOATJUIIFWTKQ-UHFFFAOYSA-NInChI: InChI=1S/C28H28N4O2/c1-31(28(34)21-8-3-2-4-9-21)17-16-26-30-24-12-5-6-13-25(24)32(26)19-27(33)29-23-15-14-20-10-7-11-22(20)18-23/h2-6,8-9,12-15,18H,7,10-11,16-17,19H2,1H3,(H,29,33)
