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PDB Info pages Status search Chemie search: 43993 results BIRD

81I

81I
Name:	(4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one
Formula:	C25 H24 F N3 O3
SMILES:	Fc1ccc(cc1)c2ccc(cc2)N3C[CH](CC3=O)N4CCN(CC4)C(=O)c5occc5
InChi:	InChI=1S/C25H24FN3O3/c26-20-7-3-18(4-8-20)19-5-9-21(10-6-19)29-17-22(16-24(29)30)27-11-13-28(14-12-27)25(31)23-2-1-15-32-23/h1-10,15,22H,11-14,16-17H2/t22-/m1/s1
Definition date:	2021-09-22
Last modified:	2022-08-22
Release date:	2022-02-16
Identifier:	(4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one

81T

81T
Name:	~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide
Formula:	C10 H20 N2 O2
SMILES:	CC(=O)N[CH]1CC(C)(C)N(O)C1(C)C
InChi:	InChI=1S/C10H20N2O2/c1-7(13)11-8-6-9(2,3)12(14)10(8,4)5/h8,14H,6H2,1-5H3,(H,11,13)/t8-/m1/s1
Definition date:	2021-09-27
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide

82W

82W
Name:	[(1~{S},3~{R},4~{R},5~{R},6~{R},7~{S},8~{R},11~{S},13~{S},16~{S},17~{R},18~{E})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{R})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{H}-pyrrole-2-carboxylate
Formula:	C28 H37 N O8
SMILES:	CO[CH]1C[CH]2C=C[CH]3[CH]4O[C]2([CH]3[CH](O)[CH](C)[CH]4OC(=O)c5[nH]ccc5)C(=C[CH](C)[CH](OC1=O)[CH](C)O)C
InChi:	InChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1
Definition date:	2021-09-29
Last modified:	2022-08-22
Release date:	2022-02-23
Identifier:	[(1~{S},3~{R},4~{R},5~{R},6~{R},7~{S},8~{R},11~{S},13~{S},16~{S},17~{R},18~{E})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{R})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{H}-pyrrole-2-carboxylate

835

835
Name:	(3S)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione
Formula:	C14 H14 N4 O3
SMILES:	CC1=Nc2cccc(N)c2C(=O)N1[CH]3CCC(=O)NC3=O
InChi:	InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)/t10-/m0/s1
Synonyms:	(3S)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
Definition date:	2021-09-29
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	(3~{S})-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione

84I

84I
Name:	methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate
Formula:	C16 H16 Cl N O4 S2
SMILES:	COC(=O)c1cc(c(SCCc2ccccc2)cc1Cl)[S](N)(=O)=O
InChi:	InChI=1S/C16H16ClNO4S2/c1-22-16(19)12-9-15(24(18,20)21)14(10-13(12)17)23-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,18,20,21)
Definition date:	2021-10-01
Last modified:	2022-08-22
Release date:	2022-01-12
Identifier:	methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate

84O

84O
Name:	methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Formula:	C14 H18 Cl N O4 S2
SMILES:	COC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O
InChi:	InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)11(15)8-12(10)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19)
Definition date:	2021-10-01
Last modified:	2022-08-22
Release date:	2022-01-12
Identifier:	methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate

84Z

84Z
Name:	methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate
Formula:	C14 H12 Cl N O6 S2
SMILES:	COC(=O)c1cc(c(Cl)cc1[S](=O)(=O)c2ccccc2)[S](N)(=O)=O
InChi:	InChI=1S/C14H12ClNO6S2/c1-22-14(17)10-7-13(24(16,20)21)11(15)8-12(10)23(18,19)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,20,21)
Definition date:	2021-10-01
Last modified:	2022-08-22
Release date:	2022-01-12
Identifier:	methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate

85H

85H
Name:	1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
Formula:	C31 H23 Cl6 N2 O
SMILES:	Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(C[CH](OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3
InChi:	InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1/t30-/m0/s1
Definition date:	2021-10-01
Last modified:	2022-08-22
Release date:	2022-08-17
Identifier:	1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-1-ium

85U

85U
Name:	methyl 6-[4-[[~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Formula:	C30 H36 N10 O7
SMILES:	COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCC=C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1
InChi:	InChI=1S/C30H36N10O7/c1-46-28(44)17-11-16-6-7-18(13-19(16)20(41)12-17)39-30(45)35-9-3-2-8-33-29(32)34-10-4-5-21-23(42)24(43)27(47-21)40-15-38-22-25(31)36-14-37-26(22)40/h4-7,11-15,21,23-24,27,41-43H,2-3,8-10H2,1H3,(H2,31,36,37)(H3,32,33,34)(H2,35,39,45)/b5-4+/t21-,23-,24-,27-/m1/s1
Definition date:	2021-10-04
Last modified:	2022-08-22
Release date:	2022-04-06
Identifier:	methyl 6-[4-[[~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate

867

867
Name:	methyl 6-[4-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Formula:	C30 H38 N10 O7
SMILES:	COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCCC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1
InChi:	InChI=1S/C30H38N10O7/c1-46-28(44)17-11-16-6-7-18(13-19(16)20(41)12-17)39-30(45)35-9-3-2-8-33-29(32)34-10-4-5-21-23(42)24(43)27(47-21)40-15-38-22-25(31)36-14-37-26(22)40/h6-7,11-15,21,23-24,27,41-43H,2-5,8-10H2,1H3,(H2,31,36,37)(H3,32,33,34)(H2,35,39,45)/t21-,23-,24-,27-/m1/s1
Definition date:	2021-10-04
Last modified:	2022-08-22
Release date:	2022-04-06
Identifier:	methyl 6-[4-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate

86E

86E
Name:	4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide
Formula:	C16 H11 Cl2 F N4 O2
SMILES:	Cn1cc(NC(=O)c2[nH]cc(c2)C(=O)c3c(Cl)ccc(Cl)c3F)cn1
InChi:	InChI=1S/C16H11Cl2FN4O2/c1-23-7-9(6-21-23)22-16(25)12-4-8(5-20-12)15(24)13-10(17)2-3-11(18)14(13)19/h2-7,20H,1H3,(H,22,25)
Definition date:	2021-10-04
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide

86H

86H
Name:	6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C23 H20 Cl2 N6 O3 S
SMILES:	Clc1cccc(c1Cl)[S](=O)(=O)Nc2ccc(cc2)c3cc(C(=O)N[CH]4CCNC4)c5c[nH]nc5n3
InChi:	InChI=1S/C23H20Cl2N6O3S/c24-18-2-1-3-20(21(18)25)35(33,34)31-14-6-4-13(5-7-14)19-10-16(17-12-27-30-22(17)29-19)23(32)28-15-8-9-26-11-15/h1-7,10,12,15,26,31H,8-9,11H2,(H,28,32)(H,27,29,30)/t15-/m1/s1
Definition date:	2021-10-04
Last modified:	2022-08-22
Release date:	2021-12-01
Identifier:	6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide

86N

86N
Name:	(2S)-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid
Formula:	C15 H17 N6 O10 P
SMILES:	N[CH](CCC(=O)O[P](O)(=O)OCc1oc(n2cnc3c(N)ncnc23)c(O)c1O)C(O)=O
InChi:	InChI=1S/C15H17N6O10P/c16-6(15(25)26)1-2-8(22)31-32(27,28)29-3-7-10(23)11(24)14(30-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-6,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-/m0/s1
Definition date:	2021-10-04
Last modified:	2022-08-22
Release date:	2021-10-27
Identifier:	(2~{S})-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid

LH0

LH0
Name:	~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide
Formula:	C17 H14 Cl2 F2 N4 O S
SMILES:	CC(C)C(=O)Nc1sc(cn1)c2cc(nn2c3c(Cl)cccc3Cl)C(F)F
InChi:	InChI=1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)
Definition date:	2022-07-05
Last modified:	2022-08-22
Release date:	2022-08-10
Identifier:	~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide

88C

88C
Name:	1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea
Formula:	C27 H28 Cl N7 O3 S
SMILES:	CCN(CC)[S](=O)(=O)c1cc(Nc2nccc(n2)c3ccnc(c3)c4ccc(NC(=O)NC)cc4)ccc1Cl
InChi:	InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)
Definition date:	2021-10-06
Last modified:	2022-08-22
Release date:	2021-12-01
Identifier:	1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea

K93

K93
Name:	12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one
Formula:	C20 H24 Lu N5 O4
SMILES:	OC(=O)c1cccc(CN2CCNCCN(CC2)Cc3cccc(n3)C(=O)O[Lu])n1
InChi:	InChI=1S/C20H25N5O4.Lu/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29
Definition date:	2022-05-23
Last modified:	2022-08-22
Release date:	2022-08-10
Identifier:	12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one

88I

88I
Name:	(3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one
Formula:	C37 H68 O6
SMILES:	CCCCCCCCCC[CH](O)[CH]1CC[CH](O1)[CH]2CC[CH](O2)[CH](O)CCCCCCCCCCCC[CH]3C[CH](C)OC3=O
InChi:	InChI=1S/C37H68O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h29-36,38-39H,3-28H2,1-2H3/t29-,30-,31+,32+,33+,34+,35+,36+/m0/s1
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-04-06
Identifier:	(3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one

K9D

K9D
Name:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide
Formula:	C33 H35 N5 O4 S
SMILES:	O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN3C(=O)c4cccc5c(ccc(C3=O)c45)N6CCc7ccccc7C6
InChi:	InChI=1S/C33H35N5O4S/c39-28(11-4-3-10-27-30-25(19-43-27)35-33(42)36-30)34-15-17-38-31(40)23-9-5-8-22-26(13-12-24(29(22)23)32(38)41)37-16-14-20-6-1-2-7-21(20)18-37/h1-2,5-9,12-13,25,27,30H,3-4,10-11,14-19H2,(H,34,39)(H2,35,36,42)/t25-,27-,30-/m0/s1
Definition date:	2022-05-23
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide

88T

88T
Name:	(1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione
Formula:	C22 H32 N6 O9
SMILES:	O=C1C[N]2CC[N](CC[N]3CC[N](CC2)CC(=O)OOC(C3)=NCCN4C(=O)CCC4=O)CC(=O)OO1
InChi:	InChI=1S/C22H32N6O9/c29-18-1-2-19(30)28(18)4-3-23-17-13-24-5-7-25(14-20(31)35-34-17)9-11-27-12-10-26(8-6-24)15-21(32)36-37-22(33)16-27/h1-16H2/b23-17-
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-08-24
Identifier:	(1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione

K9R

K9R
Name:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(1~{R},3~{S})-3-[3,5-bis(sulfanylmethyl)phenyl]-2,4-bis(oxidanylidene)cyclopentyl]pentanamide
Formula:	C23 H29 N3 O4 S3
SMILES:	SCc1cc(CS)cc(c1)[CH]2C(=O)C[CH](NC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)C2=O
InChi:	InChI=1S/C23H29N3O4S3/c27-17-8-15(22(29)20(17)14-6-12(9-31)5-13(7-14)10-32)24-19(28)4-2-1-3-18-21-16(11-33-18)25-23(30)26-21/h5-7,15-16,18,20-21,31-32H,1-4,8-11H2,(H,24,28)(H2,25,26,30)/t15-,16+,18+,20+,21+/m1/s1
Definition date:	2022-05-23
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(1~{R},3~{S})-3-[3,5-bis(sulfanylmethyl)phenyl]-2,4-bis(oxidanylidene)cyclopentyl]pentanamide

9HR

9HR
Name:	4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol
Formula:	C26 H36 F N5 O2
SMILES:	CCc1cc(O)c(F)cc1c2cc(N[CH](C)CO)c3nc(NCCCCCN(C)C)ncc3c2
InChi:	InChI=1S/C26H36FN5O2/c1-5-18-13-24(34)22(27)14-21(18)19-11-20-15-29-26(28-9-7-6-8-10-32(3)4)31-25(20)23(12-19)30-17(2)16-33/h11-15,17,30,33-34H,5-10,16H2,1-4H3,(H,28,29,31)/t17-/m0/s1
Definition date:	2021-11-11
Last modified:	2022-08-22
Release date:	2022-02-02
Identifier:	4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol

9I2

9I2
Name:	4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol
Formula:	C19 H21 F N4 O2
SMILES:	CCc1cc(O)c(F)cc1c2cc(N[CH](C)CO)c3nc(N)ncc3c2
InChi:	InChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-8-22-19(21)24-18(13)16(5-12)23-10(2)9-25/h4-8,10,23,25-26H,3,9H2,1-2H3,(H2,21,22,24)/t10-/m0/s1
Definition date:	2021-11-11
Last modified:	2022-08-22
Release date:	2022-02-02
Identifier:	4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol

9I5

9I5
Name:	4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol
Formula:	C15 H13 N3 O2
SMILES:	COc1cc(cc2cnc(N)nc12)c3ccc(O)cc3
InChi:	InChI=1S/C15H13N3O2/c1-20-13-7-10(9-2-4-12(19)5-3-9)6-11-8-17-15(16)18-14(11)13/h2-8,19H,1H3,(H2,16,17,18)
Definition date:	2021-11-11
Last modified:	2022-08-22
Release date:	2022-02-02
Identifier:	4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol

9I8

9I8
Name:	4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
Formula:	C19 H17 N5 O2
SMILES:	COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)c4ccc(O)cc4
InChi:	InChI=1S/C19H17N5O2/c1-24-11-15(10-21-24)22-19-20-9-14-7-13(8-17(26-2)18(14)23-19)12-3-5-16(25)6-4-12/h3-11,25H,1-2H3,(H,20,22,23)
Definition date:	2021-11-11
Last modified:	2022-08-22
Release date:	2022-02-02
Identifier:	4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol

9IB

9IB
Name:	3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid
Formula:	C30 H34 N4 O8 S
SMILES:	CN(C)C(=O)[CH]1CSCc2c(cccc2c3cccc(c3)C(O)=O)C(=O)OC[CH](NC(=O)[CH]4CCCN4C(C)=O)C(=O)N1
InChi:	InChI=1S/C30H34N4O8S/c1-17(35)34-12-6-11-25(34)27(37)31-23-14-42-30(41)21-10-5-9-20(18-7-4-8-19(13-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4-5,7-10,13,23-25H,6,11-12,14-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1
Definition date:	2021-11-11
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	3-[(5~{S},8~{R})-5-(dimethylcarbamoyl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid

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