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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
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
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
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
R05
R05
Name:5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C19 H16 F2 N6
SMILES:Cc1nc(NCc2c(F)cccc2F)c3c([nH]cc3c4ccnc(N)c4)n1
InChi:InChI=1S/C19H16F2N6/c1-10-26-18-17(12(8-24-18)11-5-6-23-16(22)7-11)19(27-10)25-9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H2,22,23)(H2,24,25,26,27)
Definition date:2020-08-24
Last modified:2021-06-25
Release date:2021-06-30
Identifier:5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
Q65
Q65
Name:(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Formula:C26 H37 B F2 N5 O4
SMILES:C[CH]1CC(=C2[CH](CCCCc3cn(C[CH]4[CH](O)[CH](O)[CH](O)[CH]5O[CH]45)nn3)c6n(c(C)cc6C)[B](F)(F)N12)C
InChi:InChI=1S/C26H37BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9,11,16,18-19,22-26,35-37H,5-8,10,12H2,1-4H3/t16-,18+,19-,22-,23+,24-,25-,26+/m1/s1
Definition date:2020-05-20
Last modified:2021-06-25
Release date:2021-06-30
Identifier:(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Q68
Q68
Name:~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
Formula:C18 H33 N5 O4
SMILES:CCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1Cn2cc(CNC(C)=O)nn2
InChi:InChI=1S/C18H33N5O4/c1-3-4-5-6-7-19-15-8-16(25)18(27)17(26)14(15)11-23-10-13(21-22-23)9-20-12(2)24/h10,14-19,25-27H,3-9,11H2,1-2H3,(H,20,24)/t14-,15-,16-,17+,18+/m0/s1
Definition date:2020-05-21
Last modified:2021-06-25
Release date:2021-06-30
Identifier:~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
7RC
7RC
Name:(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
Formula:C8 H17 N2 O5 P
SMILES:OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1
InChi:InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1
Definition date:2021-04-23
Last modified:2021-06-25
Release date:2021-06-30
Identifier:(2~{R})-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
J3L
J3L
Name:(2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid
Formula:C19 H27 N O6
SMILES:CCCC=CC=CC(=O)[CH]1C(=O)[CH](C[C](O)(C(C)C)C(O)=O)N(C)C1=O
InChi:InChI=1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,15,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+/t13-,15+,19-/m0/s1
Definition date:2021-03-31
Last modified:2021-06-25
Release date:2021-06-30
Identifier:(2~{S})-3-methyl-2-[[(2~{S},4~{R})-1-methyl-4-[(2~{E},4~{E})-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid
J86
J86
Name:[(1S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
Formula:C11 H13 Br N3 O5 P
SMILES:C[CH](NCc1cc(Br)cc2NC(=O)C(=O)Nc12)[P](O)(O)=O
InChi:InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
Definition date:2021-04-23
Last modified:2021-06-25
Release date:2021-06-30
Identifier:[(1~{S})-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
JGW
JGW
Name:2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one
Formula:C24 H18 F3 N O2
SMILES:CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:InChI=1S/C24H18F3NO2/c1-15-22(23(29)20-4-2-3-5-21(20)28-15)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1
Definition date:2019-02-25
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one
JHB
JHB
Name:7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one
Formula:C24 H17 Cl F3 N O2
SMILES:CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:InChI=1S/C24H17ClF3NO2/c1-14-22(29-21-13-18(25)8-11-20(21)23(14)30)17-6-2-15(3-7-17)12-16-4-9-19(10-5-16)31-24(26,27)28/h2-11,13H,12H2,1H3,(H,29,30)
Definition date:2019-02-25
Last modified:2021-06-25
Release date:2021-06-30
Identifier:7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one
JHE
JHE
Name:3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one
Formula:C24 H18 F3 N O3
SMILES:CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:InChI=1S/C24H18F3NO3/c1-15-22(28(30)21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)31-24(25,26)27/h2-13,30H,14H2,1H3
Definition date:2019-02-25
Last modified:2021-06-25
Release date:2021-06-30
Identifier:3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one
97Q
97Q
Name:2,8-bis(trifluoromethyl)quinolin-4-ol
Formula:C11 H5 F6 N O
SMILES:Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
Definition date:2017-04-27
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2,8-bis(trifluoromethyl)quinolin-4-ol
97W
97W
Name:7-(trifluoromethyl)quinolin-4-ol
Formula:C10 H6 F3 N O
SMILES:Oc1ccnc2cc(ccc12)C(F)(F)F
InChi:InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
Definition date:2017-04-28
Last modified:2021-06-25
Release date:2021-06-30
Identifier:7-(trifluoromethyl)quinolin-4-ol
98K
98K
Name:2-chloranyl-1~{H}-benzimidazole
Formula:C7 H5 Cl N2
SMILES:Clc1[nH]c2ccccc2n1
InChi:InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
Definition date:2017-04-28
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2-chloranyl-1~{H}-benzimidazole
98T
98T
Name:methyl 3-iodanyl-4-oxidanyl-benzoate
Formula:C8 H7 I O3
SMILES:COC(=O)c1ccc(O)c(I)c1
InChi:InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
Definition date:2017-04-28
Last modified:2021-06-25
Release date:2021-06-30
Identifier:methyl 3-iodanyl-4-oxidanyl-benzoate

225158

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