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N5S
N5S
表記:N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
組成式: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
定義日:2019-05-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）: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
表記:N-ethyl-N'-1,3-thiazol-2-ylurea
組成式: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)
定義日:2019-05-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:N-ethyl-N'-1,3-thiazol-2-ylurea
N64
N64
表記:N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea
組成式: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)
定義日:2019-05-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea
N67
N67
表記:N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
組成式:C11 H14 N4 O4 S2
SMILES:N(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O
InChi:InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16)
定義日:2019-05-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
N6D
N6D
表記:N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea
組成式:C13 H15 N3 O3
SMILES:N(C(Nc1cccc(COC)c1)=O)c2cc(C)on2
InChi:InChI=1S/C13H15N3O3/c1-9-6-12(16-19-9)15-13(17)14-11-5-3-4-10(7-11)8-18-2/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
定義日:2019-05-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea
N6J
N6J
表記:N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea
組成式:C16 H15 N7 O2
SMILES:N(c3cnn(Cc2cn1ccccc1n2)c3)C(Nc4cc(C)on4)=O
InChi:InChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24)
定義日:2019-05-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea
N6V
N6V
表記:N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea
組成式:C19 H25 N5 O2
SMILES:n1(CCN(CC)CC)ccc2c1ccc(c2)NC(Nc3cc(C)on3)=O
InChi:InChI=1S/C19H25N5O2/c1-4-23(5-2)10-11-24-9-8-15-13-16(6-7-17(15)24)20-19(25)21-18-12-14(3)26-22-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,20,21,22,25)
定義日:2019-05-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea
N71
N71
表記:N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea
組成式:C13 H15 N3 O4 S
SMILES:N(CCS(c1ccccc1)(=O)=O)C(Nc2cc(C)on2)=O
InChi:InChI=1S/C13H15N3O4S/c1-10-9-12(16-20-10)15-13(17)14-7-8-21(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
定義日:2019-05-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea
N74
N74
表記:N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea
組成式:C15 H15 N5 O2
SMILES:N(c2cnn(Cc1ccccc1)c2)C(Nc3cc(C)on3)=O
InChi:InChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21)
定義日:2019-05-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea
UNY
UNY
表記:(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
組成式:C21 H23 F N2 O6 S
SMILES:COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2
InChi:InChI=1S/C21H23FN2O6S/c1-21(20(26)23-27,31(3,28)29)8-9-24-12-14-10-13(4-6-17(14)19(24)25)16-7-5-15(30-2)11-18(16)22/h4-7,10-11,27H,8-9,12H2,1-3H3,(H,23,26)/t21-/m1/s1
定義日:2018-11-09
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
UNZ
UNZ
表記:(2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
組成式:C21 H23 F N2 O6 S
SMILES:COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2
InChi:InChI=1S/C21H23FN2O6S/c1-21(20(26)23-27,31(3,28)29)8-9-24-12-14-10-13(4-6-17(14)19(24)25)16-7-5-15(30-2)11-18(16)22/h4-7,10-11,27H,8-9,12H2,1-3H3,(H,23,26)/t21-/m0/s1
定義日:2018-11-12
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:(2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
J2G
J2G
表記:4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
組成式:C20 H21 F3 N2 O5 S
SMILES:COc1ccc(cc1S(Nc2c(cc(cc2)C(F)(F)F)N3CCCCC3)(=O)=O)C(O)=O
InChi:InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-7-6-14(20(21,22)23)12-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)
定義日:2018-08-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
J4Y
J4Y
表記:(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
組成式:C12 H13 Cl N2 O2
SMILES:N(NC(=O)C1C(C1)c2ccccc2)C(CCl)=O
InChi:InChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)/t9-,10+/m1/s1
定義日:2018-08-13
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
LHW
LHW
表記:MO(10)-O(35) Cluster
組成式:H16 Mo10 O35
SMILES:O[Mo]123[O+]4[Mo]56(O)(O)O[Mo]47(O)(O)O[Mo]89(O)(O)O[Mo]%10(O)(O)(O[Mo]%11%12(O)(O)O[Mo](O)(O)(O5)(O[Mo]%13%14(O)(O6)O[Mo]%15(O)(O7)(O8)O[Mo](O)(O%11)(O%10)(O%13)[O++]1%14%15)[O+]2%12)[O+]39
InChi:InChI=1S/10Mo.16H2O.19O/h
定義日:2019-08-19
最終更新日:2019-12-13
公開日:2019-12-18
BQX
BQX
表記:1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea
組成式:C19 H30 N10 O4 S2
SMILES:Nc1ncnc2n(CCCCN[S](=O)(=O)NC(=O)NCCCC[CH]3SC[CH]4NC(=O)N[CH]34)cnc12
InChi:InChI=1S/C19H30N10O4S2/c20-16-15-17(23-10-22-16)29(11-24-15)8-4-3-7-25-35(32,33)28-18(30)21-6-2-1-5-13-14-12(9-34-13)26-19(31)27-14/h10-14,25H,1-9H2,(H2,20,22,23)(H2,21,28,30)(H2,26,27,31)/t12-,13-,14-/m0/s1
定義日:2018-12-17
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea
T0A
T0A
表記:5-deazatetrahydropterin
組成式:C7 H10 N4 O
SMILES:NC1=NC2=C(CCCN2)C(=O)N1
InChi:InChI=1S/C7H10N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H2,(H4,8,9,10,11,12)
定義日:2018-12-08
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:2-azanyl-5,6,7,8-tetrahydro-3~{H}-pyrido[2,3-d]pyrimidin-4-one
DZR
DZR
表記:~{N}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide
組成式:C19 H27 Cl F N3 O2
SMILES:CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(F)cc(Cl)c2
InChi:InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
定義日:2019-09-26
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:~{N}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide
4I7
4I7
表記:(4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
組成式:C34 H32 F3 N5 O3 S
SMILES:COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C4CCN(CC4)c5ncnc6ccsc56)C(=O)[CH]7CC=CC[CH]37
InChi:InChI=1S/C34H32F3N5O3S/c1-44-28-11-10-21(18-29(28)45-19-22-6-2-5-9-26(22)34(35,36)37)30-24-7-3-4-8-25(24)33(43)42(40-30)23-12-15-41(16-13-23)32-31-27(14-17-46-31)38-20-39-32/h2-6,9-11,14,17-18,20,23-25H,7-8,12-13,15-16,19H2,1H3/t24-,25+/m0/s1
定義日:2018-11-29
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:(4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
EA3
EA3
表記:4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
組成式: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)
定義日:2019-03-27
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
OS4
OS4
表記:OSMIUM 4+ ION
組成式:Os
SMILES:[Os+4]
InChi:InChI=1S/Os/q+4
定義日:2005-03-17
最終更新日:2019-12-12
識別子（ID）:osmium(4+)
IR
IR
表記:IRIDIUM ION
組成式:Ir
SMILES:[Ir+4]
InChi:InChI=1S/Ir/q+4
定義日:1999-07-08
最終更新日:2019-12-12
識別子（ID）:iridium(4+)
W
W
表記:TUNGSTEN ION
組成式:W
SMILES:[W+6]
InChi:InChI=1S/W/q+6
定義日:2002-06-21
最終更新日:2019-12-12
識別子（ID）:tungsten(6+)
CWU
CWU
表記:5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
組成式:C18 H16 O5
SMILES:O=C(O)c1c(ccc2OCOc12)CC4c3ccccc3CC4O
InChi:InChI=1S/C18H16O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-6,13-14,19H,7-9H2,(H,20,21)/t13-,14+/m0/s1
定義日:2013-12-04
最終更新日:2019-12-12
公開日:2013-12-11
識別子（ID）:5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl}-1,3-benzodioxole-4-carboxylic acid
OD4
OD4
表記:4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid
組成式:C17 H16 N2 O3 S2
SMILES:C(c3ccc(c2c1c(sc(C(=O)O)c1)ccc2)s3)(NCCCN)=O
InChi:InChI=1S/C17H16N2O3S2/c18-7-2-8-19-16(20)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)17(21)22/h1,3-6,9H,2,7-8,18H2,(H,19,20)(H,21,22)
定義日:2019-06-20
最終更新日:2019-12-11
公開日:2019-07-24
識別子（ID）:4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid
1G2
1G2
表記:(2S)-2-azido-3-phenylpropanoic acid
組成式:C9 H9 N3 O2
SMILES:O=C(O)C(/N=[N+]=[N-])Cc1ccccc1
InChi:InChI=1S/C9H9N3O2/c10-12-11-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m0/s1
定義日:2013-01-22
最終更新日:2019-12-11
公開日:2013-01-25
識別子（ID）:(2S)-2-azido-3-phenylpropanoic acid

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