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VAV
VAV
表記:[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron
組成式:C5 H5 B F3 N2 O2
SMILES:Cn1nc(cc1[B](O)=O)C(F)(F)F
InChi:InChI=1S/C5H5BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12H,1H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron
UUQ
UUQ
表記:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
組成式:C23 H14 F3 N3 O3
SMILES:Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c4ccccc4c2C#N
InChi:InChI=1S/C23H14F3N3O3/c1-13-6-2-5-9-18(13)32-19-10-17(15-8-4-3-7-14(15)16(19)12-27)29-21(30)11-20(23(24,25)26)28-22(29)31/h2-11H,1H3,(H,28,31)
別名:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
定義日:2021-03-21
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
VPK
VPK
表記:ethyl pyridin-3-ylcarbamate
組成式:C8 H10 N2 O2
SMILES:O=C(OCC)Nc1cccnc1
InChi:InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl pyridin-3-ylcarbamate
W5U
W5U
表記:N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
組成式:C11 H15 F N2 O
SMILES:O=C(NCCN(C)C)c1ccc(F)cc1
InChi:InChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
W5Z
W5Z
表記:3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide
組成式:C12 H12 F N3 O
SMILES:Fc1cccc(c1)C(=O)NCCn1ccnc1
InChi:InChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)12(17)15-5-7-16-6-4-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide
UUZ
UUZ
表記:3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione
組成式:C22 H14 Cl F3 N2 O3
SMILES:Cc1ccccc1Oc2cc(N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccc4c2Cl
InChi:InChI=1S/C22H14ClF3N2O3/c1-12-6-2-5-9-16(12)31-17-10-15(13-7-3-4-8-14(13)20(17)23)28-19(29)11-18(22(24,25)26)27-21(28)30/h2-10H,11H2,1H3
定義日:2021-03-22
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione
W63
W63
表記:(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide
組成式:C11 H14 Cl N O2 S
SMILES:Clc1cc(NC(=O)C(C)SCCO)ccc1
InChi:InChI=1S/C11H14ClNO2S/c1-8(16-6-5-14)11(15)13-10-4-2-3-9(12)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)/t8-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide
U39
U39
表記:2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
組成式:C18 H20 N2 O4 S
SMILES:O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1
InChi:InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)
定義日:2022-08-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
VPW
VPW
表記:4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
組成式:C11 H12 Cl N
SMILES:Clc1ccc(cc1)C1=CCNCC1
InChi:InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
VB9
VB9
表記:3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
組成式:C10 H13 N3 O S2
SMILES:CN(C)CCN1C(=O)c2sccc2NC1=S
InChi:InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
UV5
UV5
表記:3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide
組成式:C19 H13 F3 N6 O3
SMILES:CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F
InChi:InChI=1S/C19H13F3N6O3/c1-23-16(30)10-5-7-27-13(8-10)26-15(11-4-2-3-6-24-11)17(27)28-14(29)9-12(19(20,21)22)25-18(28)31/h2-8H,9H2,1H3,(H,23,30)
定義日:2021-03-22
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide
VQ2
VQ2
表記:[4-(diethylcarbamoyl)phenyl]boronic acid
組成式:C11 H16 B N O3
SMILES:O=C(N(CC)CC)c1ccc(cc1)B(O)O
InChi:InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:[4-(diethylcarbamoyl)phenyl]boronic acid
W6C
W6C
表記:N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
組成式:C10 H17 N3 O3
SMILES:O=C(NC(C)COC)C=1CCC(=O)N(C)N=1
InChi:InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
UV9
UV9
表記:1-amino-4,4-dimethylcyclohexane-1-carboxamide
組成式:C9 H18 N2 O
SMILES:O=C(N)C1(N)CCC(C)(C)CC1
InChi:InChI=1S/C9H18N2O/c1-8(2)3-5-9(11,6-4-8)7(10)12/h3-6,11H2,1-2H3,(H2,10,12)
定義日:2022-08-26
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:1-amino-4,4-dimethylcyclohexane-1-carboxamide
VQ6
VQ6
表記:(2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid
組成式:C11 H11 F2 N O2
SMILES:OC(=O)C(NC1CC1)c1c(F)cccc1F
InChi:InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid
VBI
VBI
表記:N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide
組成式:C10 H13 Cl N2 O3 S
SMILES:Clc1cc(ccc1)N(CC(=O)NC)S(C)(=O)=O
InChi:InChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide
VBK
VBK
表記:[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
組成式:C8 H11 N O S
SMILES:NC[CH]1OCCc2sccc12
InChi:InChI=1S/C8H11NOS/c9-5-7-6-2-4-11-8(6)1-3-10-7/h2,4,7H,1,3,5,9H2/t7-/m1/s1
別名:4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine
定義日:2021-05-05
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:[(4~{S})-6,7-dihydro-4~{H}-thieno[3,2-c]pyran-4-yl]methanamine
W6H
W6H
表記:methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate
組成式:C11 H13 N O3 S
SMILES:O=C(/C=C/c1ccsc1)N(C)CC(=O)OC
InChi:InChI=1S/C11H13NO3S/c1-12(7-11(14)15-2)10(13)4-3-9-5-6-16-8-9/h3-6,8H,7H2,1-2H3/b4-3+
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate
VQB
VQB
表記:4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine
組成式:C8 H11 Cl N4
SMILES:Nc1c(ncnc1Cl)N1CCCC1
InChi:InChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine
VBO
VBO
表記:methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
組成式:C8 H10 N2 O4
SMILES:O=C(CCN1C=CC(=O)NC1=O)OC
InChi:InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
W6L
W6L
表記:(3R)-3-amino-3-phenylpropanenitrile
組成式:C9 H10 N2
SMILES:NC(CC#N)c1ccccc1
InChi:InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2/t9-/m1/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(3R)-3-amino-3-phenylpropanenitrile
VBQ
VBQ
表記:2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
組成式:C16 H11 N O4
SMILES:OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12
InChi:InChI=1S/C16H11NO4/c18-13(19)8-17-16(21)12-7-3-6-11-14(12)9-4-1-2-5-10(9)15(11)20/h1-7H,8H2,(H,17,21)(H,18,19)
定義日:2021-05-05
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
VQF
VQF
表記:(5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione
組成式:C9 H15 N3 O2
SMILES:CN1C(=O)C(CCC)C(=N)N(C)C1=O
InChi:InChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-/t6-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione
VBT
VBT
表記:2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid
組成式:C6 H2 Cl2 F N O2
SMILES:OC(=O)c1cc(F)c(Cl)nc1Cl
InChi:InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)
定義日:2021-05-05
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid
UVO
UVO
表記:5-methoxy-2-nitrosophenol
組成式:C7 H7 N O3
SMILES:O=Nc1ccc(cc1O)OC
InChi:InChI=1S/C7H7NO3/c1-11-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3
定義日:2022-08-26
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:5-methoxy-2-nitrosophenol

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