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XWJ
XWJ
Name:N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide
Formula:C25 H25 N5 O2
SMILES:Cc1c(NC(C)=O)cc(cc1)NC(=O)c4ccc2c(c(nn2C)c3ccc(cc3C)N)c4
InChi:InChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32)
Definition date:2021-01-15
Last modified:2021-06-25
Release date:2021-06-30
Identifier:N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide
XWP
XWP
Name:N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
Formula:C32 H30 N6 O3
SMILES:CNC(c1ccc(cc1)C(Nc2cc(ccc2C)NC(c5ccc4c(c(c3ccc(cc3C)N)nn4C)c5)=O)=O)=O
InChi:InChI=1S/C32H30N6O3/c1-18-5-12-24(17-27(18)36-31(40)21-8-6-20(7-9-21)30(39)34-3)35-32(41)22-10-14-28-26(16-22)29(37-38(28)4)25-13-11-23(33)15-19(25)2/h5-17H,33H2,1-4H3,(H,34,39)(H,35,41)(H,36,40)
Definition date:2021-01-17
Last modified:2021-06-25
Release date:2021-06-30
Identifier:N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
YTJ
YTJ
Name:2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile
Formula:C26 H20 Cl N3 O3
SMILES:N#Cc1ccccc1C1=CN(c2cnccc2)C(=O)C(=C1)c1cc(OCCOC)cc(Cl)c1
InChi:InChI=1S/C26H20ClN3O3/c1-32-9-10-33-23-12-19(11-21(27)14-23)25-13-20(24-7-3-2-5-18(24)15-28)17-30(26(25)31)22-6-4-8-29-16-22/h2-8,11-14,16-17H,9-10H2,1H3
Definition date:2021-03-31
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile
YTM
YTM
Name:5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
Formula:C28 H21 Cl N4 O4
SMILES:O=C1NC=C(C2=CN(c3cnccc3)C(=O)C(=C2)c2cc(OCCc3ccccc3)cc(Cl)c2)C(=O)N1
InChi:InChI=1S/C28H21ClN4O4/c29-21-11-19(12-23(14-21)37-10-8-18-5-2-1-3-6-18)24-13-20(25-16-31-28(36)32-26(25)34)17-33(27(24)35)22-7-4-9-30-15-22/h1-7,9,11-17H,8,10H2,(H2,31,32,34,36)
Definition date:2021-03-31
Last modified:2021-06-25
Release date:2021-06-30
Identifier:5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
YTS
YTS
Name:5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
Formula:C26 H23 Cl N6 O5
SMILES:O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(OCCN2CC(=O)NCC2)cc(Cl)c1
InChi:InChI=1S/C26H23ClN6O5/c27-18-8-16(9-20(11-18)38-7-6-32-5-4-29-23(34)15-32)21-10-17(22-13-30-26(37)31-24(22)35)14-33(25(21)36)19-2-1-3-28-12-19/h1-3,8-14H,4-7,15H2,(H,29,34)(H2,30,31,35,37)
Definition date:2021-03-31
Last modified:2021-06-25
Release date:2021-06-30
Identifier:5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
YTV
YTV
Name:5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
Formula:C25 H23 Cl N4 O5
SMILES:CC(C)(O)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O
InChi:InChI=1S/C25H23ClN4O5/c1-25(2,34)5-7-35-19-9-15(8-17(26)11-19)20-10-16(21-13-28-24(33)29-22(21)31)14-30(23(20)32)18-4-3-6-27-12-18/h3-4,6,8-14,34H,5,7H2,1-2H3,(H2,28,29,31,33)
Definition date:2021-03-31
Last modified:2021-06-25
Release date:2021-06-30
Identifier:5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
X0G
X0G
Name:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
Formula:C10 H15 N3 O2
SMILES:C3N(Cc1nc(no1)C2CC2)CCOC3
InChi:InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2
Definition date:2020-11-19
Last modified:2021-06-25
Release date:2021-06-30
Identifier:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
YU4
YU4
Name:5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
Formula:C23 H16 Cl F3 N4 O4
SMILES:FC(F)(F)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O
InChi:InChI=1S/C23H16ClF3N4O4/c24-15-6-13(7-17(9-15)35-5-3-23(25,26)27)18-8-14(19-11-29-22(34)30-20(19)32)12-31(21(18)33)16-2-1-4-28-10-16/h1-2,4,6-12H,3,5H2,(H2,29,30,32,34)
Definition date:2021-03-31
Last modified:2021-06-25
Release date:2021-06-30
Identifier:5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
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
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
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
UKK
UKK
Name:6-phenoxy-3-pyridinamine
Formula:C11 H10 N2 O
SMILES:Nc1ccc(Oc2ccccc2)nc1
InChi:InChI=1S/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2
Synonyms:6-phenoxypyridin-3-amine
Definition date:2021-02-27
Last modified:2021-06-25
Release date:2021-06-30
Identifier:6-phenoxypyridin-3-amine
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
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
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

223790

PDB entries from 2024-08-14

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