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[（E）-[4-（4-氟苯氧基）苯基]亚甲基亚氨基]脲(Co 102862)CAS号 : 181144-66-1 Compound CID : 9816959分子式: C14H12FN3O2 分子量: 273.3IUPAC Name: [(E)-[4-(4-fluorophenoxy)phenyl]methylideneamino]ureaSMILES: C1=CC(=CC=C1C=NNC(=O)N)OC2=CC=C(C=C2)FInChIKey: MHUUDVZSPFRUSK-RQZCQDPDSA-NInChI: InChI=1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+
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TC-N 1752, Nav 通道阻滞剂CAS号 : 1211866-85-1 Compound CID : 53361524分子式: C25H27F3N6O3 分子量: 516.52IUPAC Name: N-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamideSMILES: CC1=C(C=CC=C1NC(=O)C)NC2=NC(=NC=N2)N3CCC(CC3)OCC4=CC=C(C=C4)OC(F)(F)FInChIKey: QLKAFHZJICDACE-UHFFFAOYSA-NInChI: InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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NAV 26,Nav1.7通道阻滞剂CAS号 : 1198160-14-3 Compound CID : 44540282分子式: C22H21F3N2O4 分子量: 434.41IUPAC Name: 2-(oxan-4-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamideSMILES: C1COCCC1N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)FInChIKey: ICGMZCVSHDKQTE-UHFFFAOYSA-NInChI: InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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ICA 121431,NaV1.3和NaV1.1通道阻滞剂CAS号 : 313254-51-2 Compound CID : 998021分子式: C23H19N3O3S2 分子量: 449.55IUPAC Name: 2,2-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamideSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4InChIKey: URSQNPPONHUJDL-UHFFFAOYSA-NInChI: InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)
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A-803467CAS号 : 944261-79-4(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(Cl)C=C3)OC
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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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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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阿米替林分子式: C20H23N 分子量: 277.41IUPAC Name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amineSMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31InChIKey: KRMDCWKBEZIMAB-UHFFFAOYSA-NInChI: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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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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WAY-639872CAS号 : 796119-18-1 Compound CID : 4879545分子式: C21H21N3O3 分子量: 363.41IUPAC Name: N-(2-morpholin-4-ylphenyl)-2-quinolin-8-yloxyacetamideSMILES: C1COCCN1C2=CC=CC=C2NC(=O)COC3=CC=CC4=C3N=CC=C4InChIKey: ZJRDHGFMVANNGO-UHFFFAOYSA-NInChI: InChI=1S/C21H21N3O3/c25-20(15-27-19-9-3-5-16-6-4-10-22-21(16)19)23-17-7-1-2-8-18(17)24-11-13-26-14-12-24/h1-10H,11-15H2,(H,23,25)
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