小分子和化合物库

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显示第112个,产品总数264

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  1. 阿扎佩隆
      规格或纯度 :
    • ≥99%
    CAS号 : 1649-18-9        Compound CID : 15443
    分子式: C19H22FN3O        分子量: 327.4
    IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
    SMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3
    InChIKey: XTKDAFGWCDAMPY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
  2. Y-33075,ROCK 抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 199433-58-4        Compound CID : 9810884
    分子式: C16H16N4O        分子量: 280.33
    IUPAC Name: 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
    SMILES: CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N
    InChIKey: JTVBXQAYBIJXRP-SNVBAGLBSA-N
    InChI: InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
  3. 布南色林
    CAS号 : 132810-10-7        Compound CID : 125564
    分子式: C23H30FN3        分子量: 367.5
    IUPAC Name: 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
    SMILES: CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F
    InChIKey: XVGOZDAJGBALKS-UHFFFAOYSA-N
    InChI: InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
  4. CP-809101,5-HT2C受体激动剂
    CAS号 : 479683-64-2        Compound CID : 9901086
    分子式: C15H17ClN4O        分子量: 304.77
    IUPAC Name: 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
    SMILES: C1CN(CCN1)C2=CN=CC(=N2)OCC3=CC(=CC=C3)Cl
    InChIKey: PCWGGOVOEWHPMG-UHFFFAOYSA-N
    InChI: InChI=1S/C15H17ClN4O/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20/h1-3,8-10,17H,4-7,11H2
  5. H-1152,ROCK 抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 451462-58-1        Compound CID : 448043
    分子式: C16H21N3O2S        分子量: 319.42
    IUPAC Name: 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
    SMILES: CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C
    InChIKey: AWDORCFLUJZUQS-ZDUSSCGKSA-N
    InChI: InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
  6. 5-羟基色胺
    CAS号 : 50-67-9        Compound CID : 5202
    分子式: C10H12N2O        分子量: 176.22
    IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol
    SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
    InChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-N
    InChI: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
  7. Ro 60-0175 富马酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 169675-09-6        Compound CID : 6446435
    分子式: C11H12ClFN2.C4H4O4        分子量: 342.75
    IUPAC Name: (E)-but-2-enedioic acid;(2S)-1-(6-chloro-5-fluoroindol-1-yl)propan-2-amine
    SMILES: CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O
    InChIKey: CEPHEXXZGQBXGT-XZTIXWOLSA-N
    InChI: InChI=1S/C11H12ClFN2.C4H4O4/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15;5-3(6)1-2-4(7)8/h2-5,7H,6,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t7-;/m0./s1
  8. Altanserin 盐酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1135280-78-2        Compound CID : 24978536
    分子式: C22H22FN3O2S•HCl        分子量: 447.95
    IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one;hydrochloride
    SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.Cl
    InChIKey: JFPPLMAMMZZOEA-UHFFFAOYSA-N
    InChI: InChI=1S/C22H22FN3O2S.ClH/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;/h1-8,16H,9-14H2,(H,24,29);1H
  9. Altanserin
      规格或纯度 :
    • ≥98%
    CAS号 : 76330-71-7        Compound CID : 3033677
    分子式: C22H22FN3O2S        分子量: 411.5
    IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
    SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S
    InChIKey: SMYALUSCZJXWHG-UHFFFAOYSA-N
    InChI: InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
  10. 甲硫平甲磺酸盐
      规格或纯度 :
    • ≥98%
    CAS号 : 74611-28-2        Compound CID : 3039995
    分子式: C20H24N2S2•(CH4O3S)        分子量: 356.559611
    IUPAC Name: methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
    SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.CS(=O)(=O)O
    InChIKey: CZMDZGZYKOGLJY-UHFFFAOYSA-N
    InChI: InChI=1S/C20H24N2S2.CH4O3S/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;1-5(2,3)4/h3-8,14,18H,9-13H2,1-2H3;1H3,(H,2,3,4)
  11. 肉桂酸甘油酯
    CAS号 : 1166-34-3        Compound CID : 5475158
    分子式: C20H24N2OS        分子量: 340.48
    IUPAC Name: (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
    SMILES: CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2
    InChIKey: RSUVYMGADVXGOU-BUHFOSPRSA-N
    InChI: InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
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