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  1. 利哌酮
    CAS号: 106266-06-2        Compound CID : 5073
    分子式: C23H27FN4O2        分子量: 410.48
    IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
    SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
    InChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-N
    InChI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
  2. UCN-01,PKC抑制剂
    CAS号: 112953-11-4        Compound CID : 72271
    分子式: C28H26N4O4        分子量: 482.53
    IUPAC Name: (2S,3R,4R,6R,18R)-18-hydroxy-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-one
    SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC
    InChIKey: PBCZSGKMGDDXIJ-HQCWYSJUSA-N
    InChI: 1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-See more
  3. 培高利特
    CAS号: 66104-22-1        Compound CID : 47811
    分子式: C19H26N2S        分子量: 314.49
    IUPAC Name: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
    SMILES: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC
    InChIKey: YEHCICAEULNIGD-MZMPZRCHSA-N
    InChI: 1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
  4. SB 218078,Chk1抑制剂
    CAS号: 135897-06-2        Compound CID : 3387354
    分子式: C24H15N3O3        分子量: 393.39
    IUPAC Name: 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-nonaene-3,5-dione
    SMILES: C1CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C1O2)C7=C53)C(=O)NC6=O
    InChIKey: OTPNDVKVEAIXTI-UHFFFAOYSA-N
    InChI: 1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)
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