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12 项目

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  1. 瑞德南特(Preladenant)
    CAS号 : 377727-87-2        Compound CID : 10117987
    分子式: C25H29N9O3        分子量: 503.56
    IUPAC Name: 4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
    SMILES: COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6
    InChIKey: DTYWJKSSUANMHD-UHFFFAOYSA-N
    InChI: InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
  2. IB-MECA,A 3激动剂
    CAS号 : 152918-18-8        Compound CID : 123683
    分子式: C18H19IN6O4        分子量: 510.29
    IUPAC Name: (2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide
    SMILES: CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)O
    InChIKey: HUJXGQILHAUCCV-MOROJQBDSA-N
    InChI: InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
  3. 来他替尼
    CAS号 : 111358-88-4        Compound CID : 126565
    分子式: C26H21N3O4        分子量: 439.46
    IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-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-nonaen-3-one
    SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O
    InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N
    InChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
  4. PSB 1115,人类A2拮抗剂
    CAS号 : 152529-79-8        Compound CID : 5311479
    分子式: C14H14N4O5S        分子量: 350.35
    IUPAC Name: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
    SMILES: CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O
    InChIKey: UYDRRQPGDSIMNU-UHFFFAOYSA-N
    InChI: InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
  5. Verdiperstat
    CAS号 : 890655-80-8        Compound CID : 11528958
    分子式: C11H15N3O2S        分子量: 253.32
    IUPAC Name: 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
    SMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2
    InChIKey: FVJCUZCRPIMVLB-UHFFFAOYSA-N
    InChI: InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
  6. MPO-IN-28
    CAS号 : 37836-90-1        Compound CID : 2835211
    分子式: C11H13N5O        分子量: 231.25
    IUPAC Name: 2-(7-methoxy-4-methylquinazolin-2-yl)guanidine
    SMILES: CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OC
    InChIKey: ZJBMSSBTCGJZEE-UHFFFAOYSA-N
    InChI: InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
  7. PF-06282999
    CAS号 : 1435467-37-0        Compound CID : 71571306
    分子式: C13H12ClN3O3S        分子量: 325.77
    IUPAC Name: 2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
    SMILES: COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)N
    InChIKey: ICYNYWFGIDGBRD-UHFFFAOYSA-N
    InChI: InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
  8. Imaradenant (AZD4635)
    CAS号 : 1321514-06-0        Compound CID : 86676119
    分子式: C15H11ClFN5        分子量: 315.73
    IUPAC Name: 6-(2-chloro-6-methylpyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
    SMILES: CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)F
    InChIKey: NCWQLHHDGDXIJN-UHFFFAOYSA-N
    InChI: InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
  9. MPO-IN-28
    CAS号 : 37836-90-1        Compound CID : 2835211
    分子式: C11H13N5O        分子量: 231.25
    IUPAC Name: 2-(7-methoxy-4-methylquinazolin-2-yl)guanidine
    SMILES: CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OC
    InChIKey: ZJBMSSBTCGJZEE-UHFFFAOYSA-N
    InChI: InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
  10. PF-06282999
    CAS号 : 1435467-37-0        Compound CID : 71571306
    分子式: C13H12ClN3O3S        分子量: 325.77
    IUPAC Name: 2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
    SMILES: COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)N
    InChIKey: ICYNYWFGIDGBRD-UHFFFAOYSA-N
    InChI: InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
  11. Preladenant
    CAS号 : 377727-87-2        Compound CID : 10117987
    分子式: C25H29N9O3        分子量: 503.56
    IUPAC Name: 4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
    SMILES: COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6
    InChIKey: DTYWJKSSUANMHD-UHFFFAOYSA-N
    InChI: InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
  12. 维迪珀斯塔
    CAS号 : 890655-80-8        Compound CID : 11528958
    分子式: C11H15N3O2S        分子量: 253.32
    IUPAC Name: 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
    SMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2
    InChIKey: FVJCUZCRPIMVLB-UHFFFAOYSA-N
    InChI: InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
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