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PDB Info pages Status search Chemie search: 39822 results BIRD

A6I

A6I
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide
Formula:	C25 H32 N4 O6
SMILES:	CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NCc2ccc(cc2)C(=O)NO
InChi:	InChI=1S/C25H32N4O6/c1-16(2)13-21(28-25(33)35-15-19-7-5-4-6-8-19)24(32)27-17(3)22(30)26-14-18-9-11-20(12-10-18)23(31)29-34/h4-12,16-17,21,34H,13-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,33)(H,29,31)/t17-,21-/m0/s1
Definition date:	2019-08-02
Last modified:	2022-08-22
Release date:	2020-02-05
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-1-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

A6Q

A6Q
Name:	N-(3,4-dihydroxybenzylidene)-thiosemicarbazone
Formula:	C10 H13 N3 O2 S
SMILES:	CCNC(=S)NN=Cc1ccc(O)c(O)c1
InChi:	InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-6-7-3-4-8(14)9(15)5-7/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+
Synonyms:	1-[(E)-[3,4-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea
Definition date:	2021-11-24
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	1-[(~{E})-[3,4-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea

A7L

A7L
Name:	N-(2,5-dihydroxybenzylidene)-thiosemicarbazone
Formula:	C10 H13 N3 O2 S
SMILES:	CCNC(=S)NN=Cc1cc(O)ccc1O
InChi:	InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-6-7-5-8(14)3-4-9(7)15/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+
Synonyms:	1-[(E)-[2,5-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea
Definition date:	2021-11-24
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	1-[(~{E})-[2,5-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea

A9I

A9I
Name:	Altiratinib
Formula:	C26 H21 F3 N4 O4
SMILES:	Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3cc(F)c(Oc4ccnc(NC(=O)C5CC5)c4)cc3F)cc1
InChi:	InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
Synonyms:	N-1'-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,5-bis(fluoranyl)phenyl]-N-1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Definition date:	2021-11-25
Last modified:	2022-08-22
Release date:	2022-08-03
Identifier:	~{N}1'-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,5-bis(fluoranyl)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

8X6

8X6
Name:	4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
Formula:	C14 H16 N4 O S
SMILES:	NC(=O)N1CCN(CC1)c2scc(n2)c3ccccc3
InChi:	InChI=1S/C14H16N4OS/c15-13(19)17-6-8-18(9-7-17)14-16-12(10-20-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,15,19)
Definition date:	2021-11-08
Last modified:	2022-08-22
Release date:	2022-02-02
Identifier:	4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

8YX

8YX
Name:	2-azanyl-4,6-bis(bromanyl)phenol
Formula:	C6 H5 Br2 N O
SMILES:	Nc1cc(Br)cc(Br)c1O
InChi:	InChI=1S/C6H5Br2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2
Definition date:	2021-11-09
Last modified:	2022-08-22
Release date:	2022-08-03
Identifier:	2-azanyl-4,6-bis(bromanyl)phenol

8ZC

8ZC
Name:	2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide
Formula:	C16 H12 F N3 O2
SMILES:	NC(=O)c1c(N)c(n2ccccc12)C(=O)c3ccc(F)cc3
InChi:	InChI=1S/C16H12FN3O2/c17-10-6-4-9(5-7-10)15(21)14-13(18)12(16(19)22)11-3-1-2-8-20(11)14/h1-8H,18H2,(H2,19,22)
Definition date:	2021-11-09
Last modified:	2022-08-22
Release date:	2022-06-22
Identifier:	2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide

8ZL

8ZL
Name:	(5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
Formula:	C26 H35 N5 O7 S
SMILES:	CNC(=O)CCC(=O)N1CCC[CH]1C(=O)N[CH]2COC(=O)c3ccccc3CSC[CH](NC2=O)C(=O)N(C)C
InChi:	InChI=1S/C26H35N5O7S/c1-27-21(32)10-11-22(33)31-12-6-9-20(31)24(35)28-18-13-38-26(37)17-8-5-4-7-16(17)14-39-15-19(29-23(18)34)25(36)30(2)3/h4-5,7-8,18-20H,6,9-15H2,1-3H3,(H,27,32)(H,28,35)(H,29,34)/t18-,19-,20+/m1/s1
Definition date:	2021-11-10
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	(5~{S},8~{R})-~{N},~{N}-dimethyl-8-[[(2~{S})-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

91M

91M
Name:	(5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
Formula:	C29 H32 N6 O7 S
SMILES:	CN(C)C(=O)[CH]1CSCc2c(cccc2c3cccc4nonc34)C(=O)OC[CH](NC(=O)[CH]5CCCN5C(C)=O)C(=O)N1
InChi:	InChI=1S/C29H32N6O7S/c1-16(36)35-12-6-11-24(35)27(38)30-22-13-41-29(40)19-9-4-7-17(18-8-5-10-21-25(18)33-42-32-21)20(19)14-43-15-23(31-26(22)37)28(39)34(2)3/h4-5,7-10,22-24H,6,11-15H2,1-3H3,(H,30,38)(H,31,37)/t22-,23-,24+/m1/s1
Definition date:	2021-11-10
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	(5~{S},8~{R})-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide

92I

92I
Name:	(3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
Formula:	C23 H30 N4 O7 S
SMILES:	CN(C)C(=O)[CH]1C[S](=O)Cc2ccccc2C(=O)OC[CH](NC(=O)[CH]3CCCN3C(C)=O)C(=O)N1
InChi:	InChI=1S/C23H30N4O7S/c1-14(28)27-10-6-9-19(27)21(30)24-17-11-34-23(32)16-8-5-4-7-15(16)12-35(33)13-18(25-20(17)29)22(31)26(2)3/h4-5,7-8,17-19H,6,9-13H2,1-3H3,(H,24,30)(H,25,29)/t17-,18-,19+,35+/m1/s1
Definition date:	2021-11-10
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	(3~{S},5~{S},8~{R})-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-~{N},~{N}-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide

934

934
Name:	1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone
Formula:	C19 H23 N7 O
SMILES:	Cn1cc(Nc2ncc3cccc(NC4CCN(CC4)C(C)=O)c3n2)cn1
InChi:	InChI=1S/C19H23N7O/c1-13(27)26-8-6-15(7-9-26)22-17-5-3-4-14-10-20-19(24-18(14)17)23-16-11-21-25(2)12-16/h3-5,10-12,15,22H,6-9H2,1-2H3,(H,20,23,24)
Synonyms:	1-(4-((2-((1-methyl-1H-pyrazol-4-yl)amino)quinazolin-8-yl)amino)piperidin-1-yl)ethan-1-one
Definition date:	2021-11-10
Last modified:	2022-08-22
Release date:	2022-02-02
Identifier:	1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone

93L

93L
Name:	(1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
Formula:	C24 H28 N8 O2
SMILES:	CN1CCC(CC1)Nc2cc(nn3c(C)nnc23)C(=O)N4[CH]5CNC(=O)[CH]4Cc6ccccc56
InChi:	InChI=1S/C24H28N8O2/c1-14-27-28-22-18(26-16-7-9-30(2)10-8-16)12-19(29-32(14)22)24(34)31-20-11-15-5-3-4-6-17(15)21(31)13-25-23(20)33/h3-6,12,16,20-21,26H,7-11,13H2,1-2H3,(H,25,33)/t20-,21-/m0/s1
Definition date:	2021-11-10
Last modified:	2022-08-22
Release date:	2022-01-19
Identifier:	(1~{R},9~{S})-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one

95O

95O
Name:	(1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
Formula:	C19 H18 N6 O2
SMILES:	Cc1nnc2n1cc(cc2N)C(=O)N3[CH]4CNC(=O)[CH]3Cc5ccccc45
InChi:	InChI=1S/C19H18N6O2/c1-10-22-23-17-14(20)6-12(9-24(10)17)19(27)25-15-7-11-4-2-3-5-13(11)16(25)8-21-18(15)26/h2-6,9,15-16H,7-8,20H2,1H3,(H,21,26)/t15-,16-/m0/s1
Definition date:	2021-11-10
Last modified:	2022-08-22
Release date:	2022-01-19
Identifier:	(1~{R},9~{S})-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one

963

963
Name:	(1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
Formula:	C20 H20 N2 O5
SMILES:	COc1cc(cc(OC)c1O)C(=O)N2[CH]3Cc4ccccc4[CH]2CNC3=O
InChi:	InChI=1S/C20H20N2O5/c1-26-16-8-12(9-17(27-2)18(16)23)20(25)22-14-7-11-5-3-4-6-13(11)15(22)10-21-19(14)24/h3-6,8-9,14-15,23H,7,10H2,1-2H3,(H,21,24)/t14-,15-/m0/s1
Definition date:	2021-11-10
Last modified:	2022-08-22
Release date:	2022-01-19
Identifier:	(1~{R},9~{S})-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one

96L

96L
Name:	(1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
Formula:	C30 H39 F N8 O2
SMILES:	CC(C)[CH]1NC(=O)[CH]2Cc3ccccc3[CH]1N2C(=O)c4cc(NC5CCN(CC5)CC(C)(C)F)c6nnc(C)n6n4
InChi:	InChI=1S/C30H39FN8O2/c1-17(2)25-26-21-9-7-6-8-19(21)14-24(28(40)33-25)38(26)29(41)23-15-22(27-35-34-18(3)39(27)36-23)32-20-10-12-37(13-11-20)16-30(4,5)31/h6-9,15,17,20,24-26,32H,10-14,16H2,1-5H3,(H,33,40)/t24-,25+,26+/m0/s1
Definition date:	2021-11-10
Last modified:	2022-08-22
Release date:	2022-01-19
Identifier:	(1~{R},9~{S},12~{R})-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one

97S

97S
Name:	2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
Formula:	C19 H18 Cl N5 O
SMILES:	CCNC1=C(C)C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:	InChI=1S/C19H18ClN5O/c1-4-22-17-11(2)19(26)25(3)16-6-5-12(9-13(16)17)24-15-7-8-23-18(20)14(15)10-21/h5-9,22H,4H2,1-3H3,(H,23,24)
Definition date:	2021-11-10
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile

CQI

CQI
Name:	[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
Formula:	C32 H60 O12 S
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCC
InChi:	InChI=1S/C32H60O12S/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-20-27(33)41-22-25(43-28(34)21-18-8-6-4-2)23-42-32-31(37)30(36)29(35)26(44-32)24-45(38,39)40/h25-26,29-32,35-37H,3-24H2,1-2H3,(H,38,39,40)/t25-,26-,29-,30+,31-,32+/m1/s1
Synonyms:	sulfoquinovosyl diacylglycerol
Definition date:	2021-12-14
Last modified:	2022-08-22
Release date:	2022-04-13
Identifier:	[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-2-heptanoyloxy-3-hexadecanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid

9FW

9FW
Name:	2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
Formula:	C20 H16 Cl N5 O3
SMILES:	C[CH]1COC(=O)C2=C(N1)c3cc(Nc4ccnc(Cl)c4C#N)ccc3N(C)C2=O
InChi:	InChI=1S/C20H16ClN5O3/c1-10-9-29-20(28)16-17(24-10)12-7-11(3-4-15(12)26(2)19(16)27)25-14-5-6-23-18(21)13(14)8-22/h3-7,10,24H,9H2,1-2H3,(H,23,25)/t10-/m0/s1
Definition date:	2021-11-11
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	2-chloranyl-4-[[(2~{S})-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1~{H}-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile

9GR

9GR
Name:	2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
Formula:	C22 H20 Cl N5 O2
SMILES:	CN1C(=O)C2=C(N[CH](CCO2)C3CC3)c4cc(Nc5ccnc(Cl)c5C#N)ccc14
InChi:	InChI=1S/C22H20ClN5O2/c1-28-18-5-4-13(26-17-6-8-25-21(23)15(17)11-24)10-14(18)19-20(22(28)29)30-9-7-16(27-19)12-2-3-12/h4-6,8,10,12,16,27H,2-3,7,9H2,1H3,(H,25,26)/t16-/m1/s1
Definition date:	2021-11-11
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	2-chloranyl-4-[[(2~{R})-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile

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

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

9IE

9IE
Name:	2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
Formula:	C20 H18 Cl N5 O2
SMILES:	C[CH]1CCOC2=C(N1)c3cc(Nc4ccnc(Cl)c4C#N)ccc3N(C)C2=O
InChi:	InChI=1S/C20H18ClN5O2/c1-11-6-8-28-18-17(24-11)13-9-12(3-4-16(13)26(2)20(18)27)25-15-5-7-23-19(21)14(15)10-22/h3-5,7,9,11,24H,6,8H2,1-2H3,(H,23,25)/t11-/m0/s1
Definition date:	2021-11-12
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	2-chloranyl-4-[[(2~{S})-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile

9IH

9IH
Name:	2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
Formula:	C22 H18 Cl F2 N5 O2
SMILES:	CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(Cl)c5C#N)ccc14
InChi:	InChI=1S/C22H18ClF2N5O2/c1-30-16-5-4-12(28-15-6-7-27-20(23)14(15)9-26)8-13(16)17-18(21(30)31)32-10-22(24,25)19(29-17)11-2-3-11/h4-8,11,19,29H,2-3,10H2,1H3,(H,27,28)/t19-/m0/s1
Definition date:	2021-11-12
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	2-chloranyl-4-[[(2~{S})-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile

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