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Silmitasertib (CX-4945)CAS号 : 1009820-21-6(DMSO)分子式: C19H12ClN3O2 分子量: 349.77SMILES: OC(=O)C1=CC2=C(C=C1)C3=CN=CC=C3C(=N2)NC4=CC(=CC=C4)Cl
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R547CAS号 : 741713-40-6(DMSO)分子式: C18H21F2N5O4S 分子量: 441.45SMILES: COC1=CC=C(F)C(=C1C(=O)C2=C(N)N=C(NC3CCN(CC3)[S](C)(=O)=O)N=C2)F
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胍那苄分子式: C8H8Cl2N4 分子量: 231.08IUPAC Name: 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidineSMILES: C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)ClInChIKey: WDZVGELJXXEGPV-YIXHJXPBSA-NInChI: InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
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Avacopan (CCX168)CAS号 : 1346623-17-3 Compound CID : 49841217分子式: C33H35F4N3O2 分子量: 581.64IUPAC Name: (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamideSMILES: CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)FInChIKey: PUKBOVABABRILL-YZNIXAGQSA-NInChI: InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1
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Adavivint (SM04690)CAS号 : 1467093-03-3 Compound CID : 135565709分子式: C29H24FN7O 分子量: 505.55IUPAC Name: N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-yl]-3-methylbutanamideSMILES: CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=NC=C5C6=CC(=CC=C6)FInChIKey: AQDWDWAYVBQMAM-UHFFFAOYSA-NInChI: InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)
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A-674563CAS号 : 552325-73-2 Compound CID : 11314340分子式: C22H22N4O 分子量: 358.44IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amineSMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)NInChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-NInChI: InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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胍那苄分子式: C8H8Cl2N4 分子量: 231.08IUPAC Name: 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidineSMILES: C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)ClInChIKey: WDZVGELJXXEGPV-YIXHJXPBSA-NInChI: InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
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PMX 53CAS号 : 219639-75-5 Compound CID : 6918468分子式: C47H65N11O7 分子量: 896.1IUPAC Name: (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamideSMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)NInChIKey: YOKBGCTZYPOSQM-HPSWDUTRSA-NInChI: InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1
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TG003CAS号 : 300801-52-9(DMSO) Compound CID : 1893668分子式: C13H15NO2S 分子量: 249.33IUPAC Name: (1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-oneSMILES: CCN1C2=C(C=CC(=C2)OC)SC1=CC(=O)CInChIKey: BGVLELSCIHASRV-QPEQYQDCSA-NInChI: InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
