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QKE
QKE
Name:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
Formula:C19 H22 Cl N3 O3
SMILES:N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Cl)cc3
InChi:InChI=1S/C19H22ClN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1
Definition date:2020-06-22
Last modified:2021-06-25
Release date:2021-06-30
Identifier:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
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
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
QYH
QYH
Name:6-(4-methoxyphenyl)pyrimidine-2,4-diamine
Formula:C11 H12 N4 O
SMILES:COc1ccc(cc1)c2cc(N)nc(N)n2
InChi:InChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)
Definition date:2020-08-20
Last modified:2021-06-25
Release date:2021-06-30
Identifier:6-(4-methoxyphenyl)pyrimidine-2,4-diamine
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
CLA
CLA
Name:CHLOROPHYLL A
Formula:C55 H72 Mg N4 O5
SMILES:O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
InChi:InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42
Definition date:1999-07-08
Last modified:2021-06-25
Identifier:[methyl 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}phorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium
S8Q
S8Q
Name:2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone
Formula:C22 H32 N2 O5
SMILES:COc1ccc(cc1OC2CCCC2)C(C)=NOCC(=O)N3C[CH](C)O[CH](C)C3
InChi:InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-/t15-,16-/m0/s1
Definition date:2020-11-11
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone
S9W
S9W
Name:~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
Formula:C25 H30 Br N3 O3
SMILES:Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1
InChi:InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31)
Definition date:2020-11-13
Last modified:2021-06-25
Release date:2021-06-30
Identifier:~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
S9Z
S9Z
Name:~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
Formula:C25 H30 Br N3 O3
SMILES:CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3
InChi:InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
Definition date:2020-11-13
Last modified:2021-06-25
Release date:2021-06-30
Identifier:~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
T3K
T3K
Name:3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
Formula:C21 H30 N2 O5
SMILES:COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3
InChi:InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+
Definition date:2020-12-14
Last modified:2021-06-25
Release date:2021-06-30
Identifier:3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
AF6
AF6
Name:N-benzyl-9H-beta-carbolin-3-amine
Formula:C18 H15 N3
SMILES:c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4
InChi:InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)
Definition date:2018-11-01
Last modified:2021-06-25
Release date:2021-06-30
Identifier:N-benzyl-9H-beta-carbolin-3-amine
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
98Q
98Q
Name:5-methoxy-6-(trifluoromethyl)-1~{H}-indole
Formula:C10 H8 F3 N O
SMILES:COc1cc2cc[nH]c2cc1C(F)(F)F
InChi:InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3
Definition date:2017-04-28
Last modified:2021-06-25
Release date:2021-06-30
Identifier:5-methoxy-6-(trifluoromethyl)-1~{H}-indole
98W
98W
Name:dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
Formula:C10 H10 O5
SMILES:COC(=O)c1cc(O)cc(c1)C(=O)OC
InChi:InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3
Definition date:2017-04-28
Last modified:2021-06-25
Release date:2021-06-30
Identifier:dimethyl 5-oxidanylbenzene-1,3-dicarboxylate

224931

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