小分子和化合物库

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显示第112个,产品总数154

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  1. 紫杉醇
    CAS号 : 33069-62-4        Compound CID : 36314
    分子式: C47H51NO14        分子量: 853.91
    IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
    InChIKey: RCINICONZNJXQF-MZXODVADSA-N
    InChI: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
  2. PHA-793887
      规格或纯度 :
    • ≥95%
    CAS号 : 718630-59-2        Compound CID : 46191454
    分子式: C19H31N5O2        分子量: 361.48
    IUPAC Name: N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide
    SMILES: CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C
    InChIKey: HUXYBQXJVXOMKX-UHFFFAOYSA-N
    InChI: InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
  3. Bay 61-3606盐酸盐
    CAS号 : 732983-37-8        Compound CID : 10200390
    分子式: C20H18N6O3        分子量: 390.40
    IUPAC Name: 2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
    SMILES: COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC
    InChIKey: JWQOJVOKBAAAAR-UHFFFAOYSA-N
    InChI: InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
  4. 10Z-Hymenialdisine,泛激酶抑制剂
      规格或纯度 :
    • ≥97%
    CAS号 : 82005-12-7       
    分子式: C11H10BrN5O2        分子量: 324.13
    IUPAC Name: (4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
    SMILES: C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)Br
    InChIKey: ATBAETXFFCOZOY-DAXSKMNVSA-N
    InChI: InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
  5. CHIR 98014(DMSO溶液)
      规格或纯度 :
    • ≥98%
    CAS号 : 556813-39-9        Compound CID : 9957049
    分子式: C20H17Cl2N9O2        分子量: 486.32
    IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
    SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N
    InChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-N
    InChI: InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
  6. CHIR 98014,GSK3抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 556813-39-9        Compound CID : 9957049
    分子式: C20H17Cl2N9O2        分子量: 486.32
    IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
    SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N
    InChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-N
    InChI: InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
  7. BIP-135
      规格或纯度 :
    • ≥98%
    CAS号 : 941575-71-9        Compound CID : 16741475
    分子式: C21H13BrN2O3        分子量: 421.24
    IUPAC Name: 3-(1-benzofuran-3-yl)-4-(5-bromo-1-methylindol-3-yl)pyrrole-2,5-dione
    SMILES: CN1C=C(C2=C1C=CC(=C2)Br)C3=C(C(=O)NC3=O)C4=COC5=CC=CC=C54
    InChIKey: QKQJCKAXFJBYKJ-UHFFFAOYSA-N
    InChI: InChI=1S/C21H13BrN2O3/c1-24-9-14(13-8-11(22)6-7-16(13)24)18-19(21(26)23-20(18)25)15-10-27-17-5-3-2-4-12(15)17/h2-10H,1H3,(H,23,25,26)
  8. Cdk2 / 9抑制剂
    CAS号 : 507487-89-0        Compound CID : 447961
    分子式: C14H12N6O2S        分子量: 328.35
    IUPAC Name: 4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
    SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]
    InChIKey: DYTKVFHLKPDNRW-UHFFFAOYSA-N
    InChI: InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
  9. Paullone
    CAS号 : 142273-18-5        Compound CID : 369401
    分子式: C16H12N2O        分子量: 248.28
    IUPAC Name: 7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
    SMILES: C1C2=C(C3=CC=CC=C3NC1=O)NC4=CC=CC=C24
    InChIKey: VGMDAWVZNAXVDG-UHFFFAOYSA-N
    InChI: InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
  10. 羟嗪 双羟萘酸盐
      规格或纯度 :
    • ≥96%
    CAS号 : 10246-75-0        Compound CID : 25096
    分子式: C44H43ClN2O8        分子量: 763.27
    IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
    SMILES: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
    InChIKey: ASDOKGIIKXGMNB-UHFFFAOYSA-N
    InChI: InChI=1S/C23H16O6.C21H27ClN2O2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-9,21,25H,10-17H2
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