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L30
L30
Name:N-(naphthalen-1-yl)pyridine-3-carboxamide
Formula:C16 H12 N2 O
SMILES:O=C(Nc1cccc2ccccc21)c1cccnc1
InChi:InChI=1S/C16H12N2O/c19-16(13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19)
Definition date:2021-10-08
Last modified:2021-10-15
Release date:2021-10-20
Identifier:N-(naphthalen-1-yl)pyridine-3-carboxamide
0X8
0X8
Name:(~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
Formula:C28 H28 O8
SMILES:COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(OCC=CC(O)=O)c3C(=O)c2c1CC=C(C)C
InChi:InChI=1S/C28H28O8/c1-15(2)8-9-17-23-20(13-18(29)26(17)33-5)35-21-14-19-16(10-11-28(3,4)36-19)27(24(21)25(23)32)34-12-6-7-22(30)31/h6-8,10-11,13-14,29H,9,12H2,1-5H3,(H,30,31)/b7-6+
Definition date:2021-06-17
Last modified:2021-10-15
Release date:2021-10-20
Identifier:(~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
H0U
H0U
Name:~{N}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide
Formula:C19 H16 N2 O2 S2
SMILES:Cc1ccc(cc1)[S](=O)(=O)Nc2cc(ccc2C)c3sc(cc3)C#N
InChi:InChI=1S/C19H16N2O2S2/c1-13-3-8-17(9-4-13)25(22,23)21-18-11-15(6-5-14(18)2)19-10-7-16(12-20)24-19/h3-11,21H,1-2H3
Definition date:2020-10-20
Last modified:2021-10-15
Release date:2021-10-20
Identifier:~{N}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide
H1C
H1C
Name:methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate
Formula:C13 H17 N3 O2
SMILES:CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1
InChi:InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)
Definition date:2020-10-20
Last modified:2021-10-15
Release date:2021-10-20
Identifier:methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate
H1F
H1F
Name:5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
Formula:C19 H21 N3 O3 S
SMILES:COc1cc(cc(OC)c1OC)[CH]2CC(=NN2C(N)=S)c3ccccc3
InChi:InChI=1S/C19H21N3O3S/c1-23-16-9-13(10-17(24-2)18(16)25-3)15-11-14(21-22(15)19(20)26)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H2,20,26)
Definition date:2020-10-20
Last modified:2021-10-15
Release date:2021-10-20
Identifier:5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
H1O
H1O
Name:2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole
Formula:C25 H23 N3 O3
SMILES:COc1cc(cc(OC)c1OC)c2cccc3nc([nH]c23)c4cccc5n(C)ccc45
InChi:InChI=1S/C25H23N3O3/c1-28-12-11-17-18(8-6-10-20(17)28)25-26-19-9-5-7-16(23(19)27-25)15-13-21(29-2)24(31-4)22(14-15)30-3/h5-14H,1-4H3,(H,26,27)
Definition date:2020-10-20
Last modified:2021-10-15
Release date:2021-10-20
Identifier:2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole
5ZK
5ZK
Name:~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula:C7 H9 N5
SMILES:CNc1ncnc2c(C)n[nH]c12
InChi:InChI=1S/C7H9N5/c1-4-5-6(12-11-4)7(8-2)10-3-9-5/h3H,1-2H3,(H,11,12)(H,8,9,10)
Definition date:2021-07-21
Last modified:2021-10-15
Release date:2021-10-20
Identifier:~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
6IK
6IK
Name:4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3S)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
Formula:C34 H42 N6 O2
SMILES:O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCC6)[CH]5C7CC7)cc4
InChi:InChI=1S/C34H42N6O2/c41-32(28-10-8-26(9-11-28)20-40-22-33(14-4-15-33)31(40)27-12-13-27)36-21-34(42)16-5-17-39(23-34)30-18-29(37-24-38-30)35-19-25-6-2-1-3-7-25/h1-3,6-11,18,24,27,31,42H,4-5,12-17,19-23H2,(H,36,41)(H,35,37,38)/t31-,34-/m0/s1
Definition date:2021-07-28
Last modified:2021-10-15
Release date:2021-10-20
Identifier:4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{S})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
0AE
0AE
Name:(3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol
Formula:C37 H47 N6 O
SMILES:CC(C)[CH]1[NH+](Cc2ccc3c(NC[C]4(O)CCCN(C4)c5cc(NCc6ccccc6)ncn5)cccc3c2)CC17CCC7
InChi:InChI=1S/C37H46N6O/c1-27(2)35-36(15-7-16-36)24-43(35)22-29-13-14-31-30(19-29)11-6-12-32(31)39-23-37(44)17-8-18-42(25-37)34-20-33(40-26-41-34)38-21-28-9-4-3-5-10-28/h3-6,9-14,19-20,26-27,35,39,44H,7-8,15-18,21-25H2,1-2H3,(H,38,40,41)/p+1/t35-,37+/m0/s1
Definition date:2021-06-03
Last modified:2021-10-15
Release date:2021-10-20
Identifier:(3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol
0BA
0BA
Name:2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
Formula:C29 H38 N6 O3
SMILES:CC(C)[CH]1N(Cc2ccc(c(O)c2)C(=O)NC[C]3(O)CCCN(C3)c4ncnc5[nH]ccc45)CC16CCC6
InChi:InChI=1S/C29H38N6O3/c1-19(2)24-28(8-3-9-28)16-35(24)14-20-5-6-21(23(36)13-20)27(37)31-15-29(38)10-4-12-34(17-29)26-22-7-11-30-25(22)32-18-33-26/h5-7,11,13,18-19,24,36,38H,3-4,8-10,12,14-17H2,1-2H3,(H,31,37)(H,30,32,33)/t24-,29+/m0/s1
Definition date:2021-06-03
Last modified:2021-10-15
Release date:2021-10-20
Identifier:2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
0BH
0BH
Name:N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
Formula:C36 H44 N6 O3 S
SMILES:CC(C)[CH]1N(Cc2ccc(c(O)c2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5cccc6sccc56)ncn4)CC17CCC7
InChi:InChI=1S/C36H44N6O3S/c1-24(2)33-35(11-4-12-35)21-42(33)19-25-8-9-28(29(43)16-25)34(44)38-20-36(45)13-5-14-41(22-36)32-17-31(39-23-40-32)37-18-26-6-3-7-30-27(26)10-15-46-30/h3,6-10,15-17,23-24,33,43,45H,4-5,11-14,18-22H2,1-2H3,(H,38,44)(H,37,39,40)/t33-,36+/m0/s1
Definition date:2021-06-03
Last modified:2021-10-15
Release date:2021-10-20
Identifier:~{N}-[[(3~{R})-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
7RN
7RN
Name:N-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide
Formula:C10 H11 N3 O S
SMILES:CNC(=O)c1cc([nH]n1)c2sc(C)cc2
InChi:InChI=1S/C10H11N3OS/c1-6-3-4-9(15-6)7-5-8(13-12-7)10(14)11-2/h3-5H,1-2H3,(H,11,14)(H,12,13)
Definition date:2021-08-23
Last modified:2021-10-15
Release date:2021-10-20
Identifier:~{N}-methyl-5-(5-methylthiophen-2-yl)-1~{H}-pyrazole-3-carboxamide
7RX
7RX
Name:(R)-homoproline
Formula:C6 H11 N O2
SMILES:OC(=O)C[CH]1CCCN1
InChi:InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
Synonyms:2-[(2R)-pyrrolidin-2-yl]ethanoic acid
Definition date:2021-08-24
Last modified:2021-10-15
Release date:2021-10-20
Identifier:2-[(2~{R})-pyrrolidin-2-yl]ethanoic acid
RM5
RM5
Name:1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
Formula:C20 H27 Cl N2 O5 S
SMILES:CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)N[S](=O)(=O)c2occ(c2)C(C)(C)O
InChi:InChI=1S/C20H27ClN2O5S/c1-11(2)15-8-14(21)9-16(12(3)4)18(15)22-19(24)23-29(26,27)17-7-13(10-28-17)20(5,6)25/h7-12,25H,1-6H3,(H2,22,23,24)
Definition date:2020-10-09
Last modified:2021-10-15
Release date:2021-10-20
Identifier:1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
RN5
RN5
Name:4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid
Formula:C27 H24 N2 O3 S
SMILES:C[CH]1C[CH](Nc2ccc3ccsc3c2)c4cc(ccc4N1C(C)=O)c5ccc(cc5)C(O)=O
InChi:InChI=1S/C27H24N2O3S/c1-16-13-24(28-22-9-7-19-11-12-33-26(19)15-22)23-14-21(8-10-25(23)29(16)17(2)30)18-3-5-20(6-4-18)27(31)32/h3-12,14-16,24,28H,13H2,1-2H3,(H,31,32)/t16-,24+/m0/s1
Synonyms:4-[(2~{S},4~{R})-4-(1-benzothiophen-6-ylamino)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-6-yl]benzoic acid
Definition date:2020-10-09
Last modified:2021-10-15
Release date:2021-10-20
Identifier:4-[(2~{S},4~{R})-4-(1-benzothiophen-6-ylamino)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-6-yl]benzoic acid
UYK
UYK
Name:(R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
Formula:C25 H30 N4 O4
SMILES:COC[CH](C)n1c(nc2cnc3cc(c(OC)cc3c12)c4c(C)onc4C)C5CCOCC5
InChi:InChI=1S/C25H30N4O4/c1-14(13-30-4)29-24-18-11-22(31-5)19(23-15(2)28-33-16(23)3)10-20(18)26-12-21(24)27-25(29)17-6-8-32-9-7-17/h10-12,14,17H,6-9,13H2,1-5H3/t14-/m1/s1
Synonyms:4-[8-methoxy-1-[(2~{R})-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
Definition date:2021-03-29
Last modified:2021-10-08
Release date:2021-10-13
Identifier:4-[8-methoxy-1-[(2~{R})-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
YQ7
YQ7
Name:(4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Formula:C16 H12 Cl N5 O
SMILES:Cc1cnccc1c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl
InChi:InChI=1S/C16H12ClN5O/c1-8-7-18-4-3-10(8)11-5-12-14(6-13(11)17)20-16(23)22-15(12)19-9(2)21-22/h3-7H,1-2H3,(H,20,23)
Definition date:2021-03-22
Last modified:2021-10-08
Release date:2021-10-13
Identifier:(4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
YQD
YQD
Name:N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide
Formula:C18 H16 Cl N5 O3 S
SMILES:CS(=O)(=O)Nc1ccc(c(C)c1)c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl
InChi:InChI=1S/C18H16ClN5O3S/c1-9-6-11(23-28(3,26)27)4-5-12(9)13-7-14-16(8-15(13)19)21-18(25)24-17(14)20-10(2)22-24/h4-8,23H,1-3H3,(H,21,25)
Definition date:2021-03-22
Last modified:2021-10-08
Release date:2021-10-13
Identifier:N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide
YQG
YQG
Name:N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide
Formula:C20 H16 Cl N7 O3 S
SMILES:O=S(=O)(Nc1ccc(c(C)c1)c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl)c1ncc[NH]1
InChi:InChI=1S/C20H16ClN7O3S/c1-10-7-12(27-32(30,31)19-22-5-6-23-19)3-4-13(10)14-8-15-17(9-16(14)21)25-20(29)28-18(15)24-11(2)26-28/h3-9,27H,1-2H3,(H,22,23)(H,25,29)
Definition date:2021-03-22
Last modified:2021-10-08
Release date:2021-10-13
Identifier:N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide
VFN
VFN
Name:~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide
Formula:C19 H16 Cl N5 O2 S
SMILES:Nc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl)nn1
InChi:InChI=1S/C19H16ClN5O2S/c20-15-3-1-2-4-16(15)28-12-18(26)25(11-17-23-24-19(22)27-17)10-14-7-5-13(9-21)6-8-14/h1-8H,10-12H2,(H2,22,24)
Definition date:2021-05-18
Last modified:2021-10-08
Release date:2021-10-13
Identifier:~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide
VFT
VFT
Name:2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide
Formula:C20 H17 Cl N4 O S
SMILES:Clc1ccccc1SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[nH]cn3
InChi:InChI=1S/C20H17ClN4OS/c21-18-3-1-2-4-19(18)27-13-20(26)25(12-17-10-23-14-24-17)11-16-7-5-15(9-22)6-8-16/h1-8,10,14H,11-13H2,(H,23,24)
Definition date:2021-05-18
Last modified:2021-10-08
Release date:2021-10-13
Identifier:2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide
HG6
HG6
Name:4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
Formula:C15 H7 Cl O4
SMILES:OC(=O)c1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1
InChi:InChI=1S/C15H7ClO4/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6H,(H,19,20)
Definition date:2021-01-08
Last modified:2021-10-08
Release date:2021-10-13
Identifier:4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
ZFY
ZFY
Name:2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
Formula:C20 H19 F3 N6 O3 S2
SMILES:O=S(=O)(Nc1nc(cs1)C(C)(C)C(=O)Nc1ccc(cn1)c1cncc(n1)C(F)(F)F)C1CC1
InChi:InChI=1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(H,27,29)(H,25,28,30)
Definition date:2021-04-19
Last modified:2021-10-08
Release date:2021-10-13
Identifier:2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
ZG4
ZG4
Name:N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
Formula:C21 H22 N6 O4 S2
SMILES:O=S(=O)(Nc1nc(cs1)C1(NC(=O)c2ccc(cn2)c2cncc(OCC)n2)CC1)C1CC1
InChi:InChI=1S/C21H22N6O4S2/c1-2-31-18-11-22-10-16(24-18)13-3-6-15(23-9-13)19(28)26-21(7-8-21)17-12-32-20(25-17)27-33(29,30)14-4-5-14/h3,6,9-12,14H,2,4-5,7-8H2,1H3,(H,25,27)(H,26,28)
Definition date:2021-04-19
Last modified:2021-10-08
Release date:2021-10-13
Identifier:N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
HH9
HH9
Name:4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid
Formula:C14 H7 Cl O4
SMILES:OC(=O)c1cc(Cl)c2Oc3ccccc3C(=O)c2c1
InChi:InChI=1S/C14H7ClO4/c15-10-6-7(14(17)18)5-9-12(16)8-3-1-2-4-11(8)19-13(9)10/h1-6H,(H,17,18)
Definition date:2021-01-08
Last modified:2021-10-08
Release date:2021-10-13
Identifier:4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid

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PDB entries from 2024-07-10

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