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X0M
X0M
Name:N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
Formula:C11 H14 N2 O
SMILES:c2c1CC(CNc1ccc2)NC(C)=O
InChi:InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:2020-11-19
Last modified:2021-06-25
Release date:2021-06-30
Identifier:N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
X0S
X0S
Name:2-chloro-N-methylbenzene-1-sulfonamide
Formula:C7 H8 Cl N O2 S
SMILES:c1c(S(NC)(=O)=O)c(Cl)ccc1
InChi:InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
Definition date:2020-11-19
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2-chloro-N-methylbenzene-1-sulfonamide
X1G
X1G
Name:N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
Formula:C13 H17 N O3
SMILES:c1cc(CNC(CC(C)C)=O)cc2c1OCO2
InChi:InChI=1S/C13H17NO3/c1-9(2)5-13(15)14-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,15)
Definition date:2020-11-20
Last modified:2021-06-25
Release date:2021-06-30
Identifier:N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
QV2
QV2
Name:2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
Formula:C19 H20 N4 O2
SMILES:O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4
InChi:InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)
Definition date:2020-08-13
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
UJQ
UJQ
Name:9~{H}-xanthene-9-carboxylic acid
Formula:C14 H10 O3
SMILES:OC(=O)C1c2ccccc2Oc3ccccc13
InChi:InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)
Definition date:2021-02-25
Last modified:2021-06-25
Release date:2021-06-30
Identifier:9~{H}-xanthene-9-carboxylic acid
UJZ
UJZ
Name:4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole
Formula:C8 H4 Br F3 N2
SMILES:FC(F)(F)c1cc(Br)c2nc[nH]c2c1
InChi:InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
Definition date:2021-02-26
Last modified:2021-06-25
Release date:2021-06-30
Identifier:4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole
UK2
UK2
Name:(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron
Formula:C7 H8 B N O4
SMILES:Cc1ccc(cc1[N+]([O-])=O)B(O)O
InChi:InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3
Definition date:2021-02-26
Last modified:2021-06-25
Release date:2021-06-30
Identifier:(4-methyl-3-nitro-phenyl)boronic acid
UKE
UKE
Name:5-methoxy-1,3-benzoxazole-2-carboxylic acid
Formula:C9 H7 N O4
SMILES:COc1ccc2oc(nc2c1)C(O)=O
InChi:InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
Synonyms:5-Methoxybenzo[d]oxazole-2-carboxylic acid
Definition date:2021-02-26
Last modified:2021-06-25
Release date:2021-06-30
Identifier:5-methoxy-1,3-benzoxazole-2-carboxylic acid
QXH
QXH
Name:~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
Formula:C37 H47 Br2 N5 O2
SMILES:CCC(CC)(C=O)C(=O)Nc1cc(CN2CCN(CC2)Cc3ccc(Br)cc3)cc(CN4CCN(CC4)Cc5ccc(Br)cc5)c1
InChi:InChI=1S/C37H47Br2N5O2/c1-3-37(4-2,28-45)36(46)40-35-22-31(26-43-17-13-41(14-18-43)24-29-5-9-33(38)10-6-29)21-32(23-35)27-44-19-15-42(16-20-44)25-30-7-11-34(39)12-8-30/h5-12,21-23,28H,3-4,13-20,24-27H2,1-2H3,(H,40,46)
Definition date:2020-08-19
Last modified:2021-06-25
Release date:2021-06-30
Identifier:~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
QXK
QXK
Name:2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Formula:C29 H35 N3 O2
SMILES:CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4ccccc34)c1
InChi:InChI=1S/C29H35N3O2/c1-3-29(4-2,22-33)28(34)30-26-13-7-9-23(19-26)20-31-15-17-32(18-16-31)21-25-12-8-11-24-10-5-6-14-27(24)25/h5-14,19,22H,3-4,15-18,20-21H2,1-2H3,(H,30,34)
Definition date:2020-08-19
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
QXN
QXN
Name:2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
Formula:C19 H29 N3 O2
SMILES:CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1
InChi:InChI=1S/C19H29N3O2/c1-4-19(5-2,15-23)18(24)20-17-8-6-7-16(13-17)14-22-11-9-21(3)10-12-22/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,20,24)
Definition date:2020-08-19
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
QXQ
QXQ
Name:~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
Formula:C24 H28 N2 O4
SMILES:CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCc3cc4OCOc4cc3C2)c1
InChi:InChI=1S/C24H28N2O4/c1-3-24(4-2,15-27)23(28)25-20-7-5-6-17(10-20)13-26-9-8-18-11-21-22(30-16-29-21)12-19(18)14-26/h5-7,10-12,15H,3-4,8-9,13-14,16H2,1-2H3,(H,25,28)
Definition date:2020-08-19
Last modified:2021-06-25
Release date:2021-06-30
Identifier:~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
QXT
QXT
Name:1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
Formula:C24 H26 N2 O4
SMILES:CCC1(CC)C(=O)N(C1=O)c2cccc(CN3CCc4cc5OCOc5cc4C3)c2
InChi:InChI=1S/C24H26N2O4/c1-3-24(4-2)22(27)26(23(24)28)19-7-5-6-16(10-19)13-25-9-8-17-11-20-21(30-15-29-20)12-18(17)14-25/h5-7,10-12H,3-4,8-9,13-15H2,1-2H3
Definition date:2020-08-19
Last modified:2021-06-25
Release date:2021-06-30
Identifier:1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
YP4
YP4
Name:N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
Formula:C22 H22 F3 N
SMILES:FC(F)(F)c1cccc(CCCNC(C)c2cccc3ccccc32)c1
InChi:InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
Definition date:2021-03-18
Last modified:2021-06-25
Release date:2021-06-30
Identifier:N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
QYB
QYB
Name:3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:C11 H8 N4 O
SMILES:O=C1NC=Nc2n[nH]c(c3ccccc3)c12
InChi:InChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16)
Synonyms:3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
Definition date:2020-08-20
Last modified:2021-06-25
Release date:2021-06-30
Identifier:3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
QYE
QYE
Name:7-chlorothieno[3,2-c]pyridin-4-amine
Formula:C7 H5 Cl N2 S
SMILES:Nc1ncc(Cl)c2sccc12
InChi:InChI=1S/C7H5ClN2S/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H,(H2,9,10)
Synonyms:7-chloranylthieno[3,2-c]pyridin-4-amine
Definition date:2020-08-20
Last modified:2021-06-25
Release date:2021-06-30
Identifier:7-chloranylthieno[3,2-c]pyridin-4-amine
QYK
QYK
Name:4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:C8 H6 Br N5
SMILES:Cn1c(Br)c(C#N)c2c(N)ncnc12
InChi:InChI=1S/C8H6BrN5/c1-14-6(9)4(2-10)5-7(11)12-3-13-8(5)14/h3H,1H3,(H2,11,12,13)
Definition date:2020-08-20
Last modified:2021-06-25
Release date:2021-06-30
Identifier:4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
UMH
UMH
Name:6-methoxyquinoline-3-carboxylic acid
Formula:C11 H9 N O3
SMILES:COc1ccc2ncc(cc2c1)C(O)=O
InChi:InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-12-10)11(13)14/h2-6H,1H3,(H,13,14)
Definition date:2021-03-02
Last modified:2021-06-25
Release date:2021-06-30
Identifier:6-methoxyquinoline-3-carboxylic acid
QYW
QYW
Name:4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:C13 H10 N6
SMILES:Cc1nc(N)c2c([nH]c(c3cccnc3)c2C#N)n1
InChi:InChI=1S/C13H10N6/c1-7-17-12(15)10-9(5-14)11(19-13(10)18-7)8-3-2-4-16-6-8/h2-4,6H,1H3,(H3,15,17,18,19)
Definition date:2020-08-21
Last modified:2021-06-25
Release date:2021-06-30
Identifier:4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
QYZ
QYZ
Name:(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one
Formula:C14 H11 N O2
SMILES:Cc1oc(cc1)C=C2C(=O)Nc3ccccc23
InChi:InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+
Definition date:2020-08-21
Last modified:2021-06-25
Release date:2021-06-30
Identifier:(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one
QZ2
QZ2
Name:3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid
Formula:C8 H8 N4 O2
SMILES:Cn1cc(cn1)c2cc([nH]n2)C(O)=O
InChi:InChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)6-2-7(8(13)14)11-10-6/h2-4H,1H3,(H,10,11)(H,13,14)
Definition date:2020-08-21
Last modified:2021-06-25
Release date:2021-06-30
Identifier:3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid
WV1
WV1
Name:N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide
Formula:C12 H16 N2 O
SMILES:c2c(NC(=O)C1CC1)ccc(c2)C(C)N
InChi:InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1
Definition date:2020-11-17
Last modified:2021-06-25
Release date:2021-06-30
Identifier:N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide
WV4
WV4
Name:N-ethyl-2-fluoro-4-(methylsulfonyl)aniline
Formula:C9 H12 F N O2 S
SMILES:c1cc(NCC)c(cc1S(C)(=O)=O)F
InChi:InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3
Definition date:2020-11-17
Last modified:2021-06-25
Release date:2021-06-30
Identifier:N-ethyl-2-fluoro-4-(methylsulfonyl)aniline
WVD
WVD
Name:4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
Formula:C9 H11 N3 O2 S
SMILES:C2NC(=O)CN(C(c1c(C)ncs1)=O)C2
InChi:InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13)
Definition date:2020-11-17
Last modified:2021-06-25
Release date:2021-06-30
Identifier:4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
QZW
QZW
Name:4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
Formula:C17 H15 N5 O S
SMILES:Cc1nc2[nH]cc(c3ccnc(N)c3)c2c(OCc4cscc4)n1
InChi:InChI=1S/C17H15N5OS/c1-10-21-16-15(17(22-10)23-8-11-3-5-24-9-11)13(7-20-16)12-2-4-19-14(18)6-12/h2-7,9H,8H2,1H3,(H2,18,19)(H,20,21,22)
Definition date:2020-08-24
Last modified:2021-06-25
Release date:2021-06-30
Identifier:4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

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