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小分子和化合物库
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八氢-2H-苯并咪唑-2-硫酮(异构体混合物)CAS号: 30086-64-7分子式: C7H12N2S 分子量: 156.25IUPAC Name: 1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thioneSMILES: C1CCC2C(C1)NC(=S)N2InChIKey: INYFNNKRGLROQV-UHFFFAOYSA-NInChI: 1S/C7H12N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)
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葡磷酰胺CAS号: 132682-98-5分子式: C10H21Cl2N2O7P 分子量: 383.16IUPAC Name: (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C(CCl)NP(=O)(NCCCl)OC1C(C(C(C(O1)CO)O)O)OInChIKey: PSVUJBVBCOISSP-SPFKKGSWSA-NInChI: 1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1
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4-氯喹唑啉-2-羧酸乙酯CAS号: 34632-69-4分子式: C11H9ClN2O2 分子量: 236.66IUPAC Name: ethyl 4-chloroquinazoline-2-carboxylateSMILES: CCOC(=O)C1=NC2=CC=CC=C2C(=N1)ClInChIKey: ZMAJSODACDWUAS-UHFFFAOYSA-NInChI: 1S/C11H9ClN2O2/c1-2-16-11(15)10-13-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
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5-(羟甲基)-2-糠酸甲酯CAS号: 36802-01-4分子式: C7H8O4 分子量: 156.14IUPAC Name: methyl 5-(hydroxymethyl)furan-2-carboxylateSMILES: COC(=O)C1=CC=C(O1)COInChIKey: GCVVHNKBMLQFCY-UHFFFAOYSA-NInChI: 1S/C7H8O4/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3,8H,4H2,1H3
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6-氟-1H-吲唑-3-羧酸CAS号: 129295-30-3分子式: C8H5FN2O2 分子量: 180.14IUPAC Name: 6-fluoro-1H-indazole-3-carboxylic acidSMILES: C1=CC2=C(C=C1F)NN=C2C(=O)OInChIKey: KNPFUABTEGLQBG-UHFFFAOYSA-NInChI: 1S/C8H5FN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
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7-氨基-3-氯-8-氧代5-硫杂-1-氮杂-双环-[4.2.0]辛-2-烯-2-羧酸CAS号: 53994-69-7分子式: C7H7ClN2O3S 分子量: 234.66IUPAC Name: (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidSMILES: C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)ClInChIKey: OQSAFIZCBAZPMY-AWFVSMACSA-NInChI: 1S/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)/t3-,6-/m1/s1
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7-羟基-[1,2,4]三唑并[1,5-a]嘧啶-5（1H）- 酮CAS号: 40775-75-5 Compound CID : 135448083分子式: C5H4N4O2 分子量: 152.11IUPAC Name: 7-hydroxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-oneSMILES: C1=C(N2C(=NC=N2)NC1=O)OInChIKey: MGSUQXAMLTWXCB-UHFFFAOYSA-NInChI: 1S/C5H4N4O2/c10-3-1-4(11)9-5(8-3)6-2-7-9/h1-2,11H,(H,6,7,8,10)
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7-苄氧基-1H-吲唑-3-羧酸CAS号: 177941-17-2分子式: C15H12N2O3 分子量: 268.272IUPAC Name: 7-phenylmethoxy-1H-indazole-3-carboxylic acidSMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2NN=C3C(=O)OInChIKey: ZFVAAEXVMARVQU-UHFFFAOYSA-NInChI: 1S/C15H12N2O3/c18-15(19)14-11-7-4-8-12(13(11)16-17-14)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)(H,18,19)
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8-乙基-2-丙基-4-喹啉醇CAS号: 1070879-89-8 Compound CID : 39346185分子式: C14H17NO 分子量: 215.29IUPAC Name: 8-ethyl-2-propyl-1H-quinolin-4-oneSMILES: CCCC1=CC(=O)C2=CC=CC(=C2N1)CCInChIKey: WSKVYQCYWIBUCH-UHFFFAOYSA-NInChI: 1S/C14H17NO/c1-3-6-11-9-13(16)12-8-5-7-10(4-2)14(12)15-11/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)
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8-氟喹啉-2-甲醛CAS号: 904369-10-4分子式: C10H6FNO 分子量: 175.16IUPAC Name: 8-fluoroquinoline-2-carbaldehydeSMILES: C1=CC2=C(C(=C1)F)N=C(C=C2)C=OInChIKey: IVWGJARCWCGWJW-UHFFFAOYSA-NInChI: 1S/C10H6FNO/c11-9-3-1-2-7-4-5-8(6-13)12-10(7)9/h1-6H
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8-氯喹啉-2-甲醛CAS号: 59394-28-4分子式: C10H6NOCl 分子量: 191.62IUPAC Name: 8-chloroquinoline-2-carbaldehydeSMILES: C1=CC2=C(C(=C1)Cl)N=C(C=C2)C=OInChIKey: RQWZBYLWUUPXJE-UHFFFAOYSA-NInChI: 1S/C10H6ClNO/c11-9-3-1-2-7-4-5-8(6-13)12-10(7)9/h1-6H
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8-溴-3,4-二氢-2H-萘-1-酮CAS号: 651735-60-3分子式: C10H9BrO 分子量: 225.08IUPAC Name: 8-bromo-3,4-dihydro-2H-naphthalen-1-oneSMILES: C1CC2=C(C(=O)C1)C(=CC=C2)BrInChIKey: DIYWCGZFCFYCIE-UHFFFAOYSA-NInChI: 1S/C10H9BrO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5H,2,4,6H2
![7-氨基-3-氯-8-氧代5-硫杂-1-氮杂-双环-[4.2.0]辛-2-烯-2-羧酸](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/A/3/A338082.png)
![7-羟基-[1,2,4]三唑并[1,5-a]嘧啶-5（1H）- 酮](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/H/3/H333847.png)
