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J51
J51
Name:benzyl acetylcarbamate
Formula:C10 H11 N O3
SMILES:N(C(OCc1ccccc1)=O)C(C)=O
InChi:InChI=1S/C10H11NO3/c1-8(12)11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:benzyl acetylcarbamate
J5D
J5D
Name:N-[(4-fluoro-3-methylphenyl)methyl]acetamide
Formula:C10 H12 F N O
SMILES:CC(=O)NCc1cc(c(cc1)F)C
InChi:InChI=1S/C10H12FNO/c1-7-5-9(3-4-10(7)11)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-[(4-fluoro-3-methylphenyl)methyl]acetamide
J5G
J5G
Name:N-(5-methyl-1,2-oxazol-3-yl)acetamide
Formula:C6 H8 N2 O2
SMILES:c1(C)onc(NC(=O)C)c1
InChi:InChI=1S/C6H8N2O2/c1-4-3-6(8-10-4)7-5(2)9/h3H,1-2H3,(H,7,8,9)
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-(5-methyl-1,2-oxazol-3-yl)acetamide
J5J
J5J
Name:N-[(E)-(3-methylphenyl)methylidene]acetamide
Formula:C10 H11 N O
SMILES:CC(=O)N=[C@H]c1cc(ccc1)C
InChi:InChI=1S/C10H11NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3-7H,1-2H3/b11-7+
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-[(E)-(3-methylphenyl)methylidene]acetamide
J5M
J5M
Name:N-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide
Formula:C12 H10 F3 N O
SMILES:CC(=O)NCC#Cc1cccc(C(F)(F)F)c1
InChi:InChI=1S/C12H10F3NO/c1-9(17)16-7-3-5-10-4-2-6-11(8-10)12(13,14)15/h2,4,6,8H,7H2,1H3,(H,16,17)
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide
J5P
J5P
Name:N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide
Formula:C8 H14 N2 O4 S
SMILES:CC(=O)NNC(=O)CC1CCS(=O)(=O)C1
InChi:InChI=1S/C8H14N2O4S/c1-6(11)9-10-8(12)4-7-2-3-15(13,14)5-7/h7H,2-5H2,1H3,(H,9,11)(H,10,12)/t7-/m0/s1
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide
J5S
J5S
Name:N-[(E)-(4-methylphenyl)methylidene]acetamide
Formula:C10 H11 N O
SMILES:c1c(C=NC(=O)C)ccc(c1)C
InChi:InChI=1S/C10H11NO/c1-8-3-5-10(6-4-8)7-11-9(2)12/h3-7H,1-2H3/b11-7+
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-[(E)-(4-methylphenyl)methylidene]acetamide
J5V
J5V
Name:N-(3-phenylprop-2-yn-1-yl)acetamide
Formula:C11 H11 N O
SMILES:C(c1ccccc1)#CCNC(=O)C
InChi:InChI=1S/C11H11NO/c1-10(13)12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3,(H,12,13)
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-(3-phenylprop-2-yn-1-yl)acetamide
J61
J61
Name:N'-acetyl-2-chlorobenzohydrazide
Formula:C9 H9 Cl N2 O2
SMILES:N(C(c1ccccc1Cl)=O)NC(=O)C
InChi:InChI=1S/C9H9ClN2O2/c1-6(13)11-12-9(14)7-4-2-3-5-8(7)10/h2-5H,1H3,(H,11,13)(H,12,14)
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N'-acetyl-2-chlorobenzohydrazide
J64
J64
Name:N-[(5-chlorothiophen-2-yl)methyl]acetamide
Formula:C7 H8 Cl N O S
SMILES:N(Cc1ccc(Cl)s1)C(C)=O
InChi:InChI=1S/C7H8ClNOS/c1-5(10)9-4-6-2-3-7(8)11-6/h2-3H,4H2,1H3,(H,9,10)
Definition date:2018-08-13
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-[(5-chlorothiophen-2-yl)methyl]acetamide
KZB
KZB
Name:(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol
Formula:C33 H54 O10
SMILES:C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C
InChi:InChI=1S/C33H54O10/c1-15-7-10-33(40-14-15)16(2)23-29(43-33)26(37)24-18-6-5-17-11-21(41-30-28(39)27(38)25(36)22(13-34)42-30)20(35)12-32(17,4)19(18)8-9-31(23,24)3/h15-30,34-39H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31-,32+,33-/m0/s1
Definition date:2019-07-06
Last modified:2019-12-13
Release date:2019-12-18
Identifier:(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol
KZE
KZE
Name:[(3~{R},6~{Z},10~{Z},14~{Z},18~{Z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate
Formula:C30 H53 O4 P
SMILES:C[CH](CCO[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:InChI=1S/C30H53O4P/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-34-35(31,32)33/h13,15,17,19,21,30H,8-12,14,16,18,20,22-24H2,1-7H3,(H2,31,32,33)/b26-15-,27-17-,28-19-,29-21-/t30-/m1/s1
Definition date:2019-07-06
Last modified:2019-12-13
Release date:2019-12-18
Identifier:[(3~{R},6~{Z},10~{Z},14~{Z},18~{Z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate
L2Q
L2Q
Name:[(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
Formula:C40 H54 N2 O8
SMILES:COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH]3CCC(=O)[CH]4CCCC[CH]34)c5cccc(OCCN6CCOCC6)c5)cc1OC
InChi:InChI=1S/C40H54N2O8/c1-46-37-18-14-28(26-38(37)47-2)13-17-36(29-8-7-9-30(27-29)49-25-22-41-20-23-48-24-21-41)50-40(45)34-12-5-6-19-42(34)39(44)33-15-16-35(43)32-11-4-3-10-31(32)33/h7-9,14,18,26-27,31-34,36H,3-6,10-13,15-17,19-25H2,1-2H3/t31-,32-,33-,34+,36-/m1/s1
Definition date:2019-07-16
Last modified:2019-12-13
Release date:2019-12-18
Identifier:[(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
E5U
E5U
Name:2-methoxypropanedioic acid
Formula:C4 H6 O5
SMILES:COC(C(O)=O)C(O)=O
InChi:InChI=1S/C4H6O5/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
Definition date:2019-10-23
Last modified:2019-12-13
Release date:2019-12-18
Identifier:2-methoxypropanedioic acid
EA3
EA3
Name:4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
Formula:C15 H21 Cl N2 O4 S2
SMILES:N[S](=O)(=O)c1cc(C(=O)NCCO)c(SC2CCCCC2)cc1Cl
InChi:InChI=1S/C15H21ClN2O4S2/c16-12-9-13(23-10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)24(17,21)22/h8-10,19H,1-7H2,(H,18,20)(H2,17,21,22)
Definition date:2019-03-27
Last modified:2019-12-13
Release date:2019-12-18
Identifier:4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
KJG
KJG
Name:2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione
Formula:C18 H12 O4
SMILES:O=C1C(=C(O)C(=O)C(=C1O)c2ccccc2)c3ccccc3
InChi:InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H
Definition date:2018-12-14
Last modified:2019-12-13
Release date:2019-12-18
Identifier:2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione
KWE
KWE
Name:3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione
Formula:C28 H28 N2 O2
SMILES:O=C1N(Cc2ccccc2)C(=O)C(=C1Cc3ccccc3)NCCCCc4ccccc4
InChi:InChI=1S/C28H28N2O2/c31-27-25(20-23-15-6-2-7-16-23)26(28(32)30(27)21-24-17-8-3-9-18-24)29-19-11-10-14-22-12-4-1-5-13-22/h1-9,12-13,15-18,29H,10-11,14,19-21H2
Definition date:2019-07-02
Last modified:2019-12-13
Release date:2019-12-18
Identifier:3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione
H2H
H2H
Name:(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
Formula:C19 H22 F N3 O6 S
SMILES:COc1ccc(c(F)c1)c2cn3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2
InChi:InChI=1S/C19H22FN3O6S/c1-19(17(24)21-26,30(3,27)28)6-7-22-11-13-8-12(10-23(13)18(22)25)15-5-4-14(29-2)9-16(15)20/h4-5,8-10,26H,6-7,11H2,1-3H3,(H,21,24)/t19-/m1/s1
Definition date:2018-11-09
Last modified:2019-12-13
Release date:2019-12-18
Identifier:(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
H2N
H2N
Name:(2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
Formula:C16 H19 F N2 O7 S
SMILES:COc1ccc(c(F)c1)C2=CN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)O2
InChi:InChI=1S/C16H19FN2O7S/c1-16(14(20)18-22,27(3,23)24)6-7-19-9-13(26-15(19)21)11-5-4-10(25-2)8-12(11)17/h4-5,8-9,22H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1
Definition date:2018-11-09
Last modified:2019-12-13
Release date:2019-12-18
Identifier:(2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
H2Q
H2Q
Name:(2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
Formula:C20 H23 N3 O6 S
SMILES:C[C](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CO)CC3)(C(=O)NO)[S](C)(=O)=O
InChi:InChI=1S/C20H23N3O6S/c1-19(17(25)21-27,30(2,28)29)9-10-22-13-16-11-15(12-23(16)18(22)26)5-3-4-6-20(14-24)7-8-20/h11-12,24,27H,7-10,13-14H2,1-2H3,(H,21,25)/t19-/m1/s1
Definition date:2018-11-09
Last modified:2019-12-13
Release date:2019-12-18
Identifier:(2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
H2Z
H2Z
Name:(2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide
Formula:C25 H30 N4 O6 S
SMILES:C[C](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(CN4CCOCC4)cc3)(C(=O)NO)[S](C)(=O)=O
InChi:InChI=1S/C25H30N4O6S/c1-25(23(30)26-32,36(2,33)34)9-10-28-18-22-15-21(17-29(22)24(28)31)8-5-19-3-6-20(7-4-19)16-27-11-13-35-14-12-27/h3-4,6-7,15,17,32H,9-14,16,18H2,1-2H3,(H,26,30)/t25-/m1/s1
Definition date:2018-11-09
Last modified:2019-12-13
Release date:2019-12-18
Identifier:(2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide
N5D
N5D
Name:N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide
Formula:C13 H16 N6 O3
SMILES:N(c1cn(nc1)CC(NC2CC2)=O)C(Nc3cc(C)on3)=O
InChi:InChI=1S/C13H16N6O3/c1-8-4-11(18-22-8)17-13(21)16-10-5-14-19(6-10)7-12(20)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,20)(H2,16,17,18,21)
Definition date:2019-05-03
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide
N5S
N5S
Name:N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
Formula:C14 H16 F3 N3 O4
SMILES:N(C(NCCC(c1oc(C)cc1)(O)C(F)(F)F)=O)c2cc(C)on2
InChi:InChI=1S/C14H16F3N3O4/c1-8-3-4-10(23-8)13(22,14(15,16)17)5-6-18-12(21)19-11-7-9(2)24-20-11/h3-4,7,22H,5-6H2,1-2H3,(H2,18,19,20,21)/t13-/m0/s1
Definition date:2019-05-03
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
N5V
N5V
Name:N-ethyl-N'-1,3-thiazol-2-ylurea
Formula:C6 H9 N3 O S
SMILES:N(C(NCC)=O)c1nccs1
InChi:InChI=1S/C6H9N3OS/c1-2-7-5(10)9-6-8-3-4-11-6/h3-4H,2H2,1H3,(H2,7,8,9,10)
Definition date:2019-05-03
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-ethyl-N'-1,3-thiazol-2-ylurea
N64
N64
Name:N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea
Formula:C18 H25 N5 O2
SMILES:N(CCCN2CCN(c1ccccc1)CC2)C(Nc3cc(C)on3)=O
InChi:InChI=1S/C18H25N5O2/c1-15-14-17(21-25-15)20-18(24)19-8-5-9-22-10-12-23(13-11-22)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H2,19,20,21,24)
Definition date:2019-05-03
Last modified:2019-12-13
Release date:2019-12-18
Identifier:N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea

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数据于2024-07-17公开中

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