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星形孢菌素CAS号: 62996-74-1 Compound CID : 44259分子式: C28H26N4O3 分子量: 466.53IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-oneSMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OCInChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-NInChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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JIB-04,Jumonji组蛋白脱甲基酶抑制剂CAS号: 199596-05-9分子式: C17H13ClN4 分子量: 308.76IUPAC Name: 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amineSMILES: C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3InChIKey: YHHFKWKMXWRVTJ-OQKWZONESA-NInChI: 1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
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GSK-J4,细组蛋白脱甲基酶JMJD3 / UTX抑制剂CAS号: 1373423-53-0分子式: C24H27N5O2 分子量: 417.51IUPAC Name: ethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoateSMILES: CCOC(=O)CCNC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC4=CC=CC=C4CC3InChIKey: WBKCKEHGXNWYMO-UHFFFAOYSA-NInChI: 1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)
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GSK-J1,H3K27组蛋白脱甲基酶抑制剂CAS号: 1373422-53-7分子式: C22H23N5O2 分子量: 389.46IUPAC Name: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acidSMILES: C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4InChIKey: AVZCPICCWKMZDT-UHFFFAOYSA-NInChI: 1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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GSK-J1CAS号: 1373422-53-7分子式: C22H23N5O2 分子量: 389.46IUPAC Name: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acidSMILES: C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4InChIKey: AVZCPICCWKMZDT-UHFFFAOYSA-NInChI: 1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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GSK-J4CAS号: 1373423-53-0分子式: C24H27N5O2 分子量: 417.51IUPAC Name: ethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoateSMILES: CCOC(=O)CCNC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC4=CC=CC=C4CC3InChIKey: WBKCKEHGXNWYMO-UHFFFAOYSA-NInChI: 1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)
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JIB-04CAS号: 199596-05-9分子式: C17H13ClN4 分子量: 308.76IUPAC Name: 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amineSMILES: C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3InChIKey: YHHFKWKMXWRVTJ-OQKWZONESA-NInChI: 1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
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星形孢菌素CAS号: 62996-74-1 Compound CID : 44259分子式: C28H26N4O3 分子量: 466.53IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-oneSMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OCInChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-NInChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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8-羟基喹啉-5-羧酸CAS号: 5852-78-8分子式: C10H7NO3 分子量: 189.17IUPAC Name: 8-hydroxyquinoline-5-carboxylic acidSMILES: C1=CC2=C(C=CC(=C2N=C1)O)C(=O)OInChIKey: JGRPKOGHYBAVMW-UHFFFAOYSA-NInChI: 1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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ilorasertibCAS号: 1227939-82-3 Compound CID : 46207586分子式: C25H21FN6O2S 分子量: 488.5IUPAC Name: 1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)ureaSMILES: C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)NInChIKey: WPHKIQPVPYJNAX-UHFFFAOYSA-NInChI: 1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
