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PDB Info pages Status search Chemie search: 43993 results BIRD

RWN

RWN
Name:	(2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
Formula:	C22 H32 N6 O
SMILES:	CC[CH](CO)Nc1nc(NCCCc2cccc(C)c2)c3ncn(C(C)C)c3n1
InChi:	InChI=1S/C22H32N6O/c1-5-18(13-29)25-22-26-20(19-21(27-22)28(14-24-19)15(2)3)23-11-7-10-17-9-6-8-16(4)12-17/h6,8-9,12,14-15,18,29H,5,7,10-11,13H2,1-4H3,(H2,23,25,26,27)/t18-/m1/s1
Definition date:	2022-12-07
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

RZO

RZO
Name:	[bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid
Formula:	C6 H12 Cl2 O7 P2
SMILES:	CC(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O
InChi:	InChI=1S/C6H12Cl2O7P2/c1-5(4-9)2-3-15-17(13,14)6(7,8)16(10,11)12/h2,9H,3-4H2,1H3,(H,13,14)(H2,10,11,12)/b5-2+
Definition date:	2023-04-07
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	[bis(chloranyl)-[[(~{E})-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid

S9R

S9R
Name:	[(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate
Formula:	C6 H14 O8 P2
SMILES:	CCC(CO)=CCO[P](O)(=O)O[P](O)(O)=O
InChi:	InChI=1S/C6H14O8P2/c1-2-6(5-7)3-4-13-16(11,12)14-15(8,9)10/h3,7H,2,4-5H2,1H3,(H,11,12)(H2,8,9,10)/b6-3+
Definition date:	2023-04-11
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	[(~{E})-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate

SE6

SE6
Name:	[(2E)-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate
Formula:	C7 H14 O8 P2
SMILES:	OCC(CC=C)=CCO[P](O)(=O)O[P](O)(O)=O
InChi:	InChI=1S/C7H14O8P2/c1-2-3-7(6-8)4-5-14-17(12,13)15-16(9,10)11/h2,4,8H,1,3,5-6H2,(H,12,13)(H2,9,10,11)/b7-4+
Definition date:	2023-04-11
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	[(2~{E})-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate

CW9

CW9
Name:	8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine
Formula:	C21 H28 Br N5 O4
SMILES:	COCCN(CCOC)c1nc(C)nc2n1nc(C)c2c3c(OC)cc(Br)cc3OC
InChi:	InChI=1S/C21H28BrN5O4/c1-13-18(19-16(30-5)11-15(22)12-17(19)31-6)20-23-14(2)24-21(27(20)25-13)26(7-9-28-3)8-10-29-4/h11-12H,7-10H2,1-6H3
Definition date:	2019-05-22
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine

T9C

T9C
Name:	(S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid
Formula:	C26 H19 N3 O6
SMILES:	Cc1ccc2c(NC(=O)[C]2(c3c[nH]nc3)c4cc(ccc4O)c5ccc(cc5C(O)=O)C(O)=O)c1
InChi:	InChI=1S/C26H19N3O6/c1-13-2-6-19-21(8-13)29-25(35)26(19,16-11-27-28-12-16)20-10-14(4-7-22(20)30)17-5-3-15(23(31)32)9-18(17)24(33)34/h2-12,30H,1H3,(H,27,28)(H,29,35)(H,31,32)(H,33,34)/t26-/m1/s1
Synonyms:	4-[3-[(3S)-6-methyl-2-oxidanylidene-3-(1H-pyrazol-4-yl)-1H-indol-3-yl]-4-oxidanyl-phenyl]benzene-1,3-dicarboxylic acid
Definition date:	2023-01-04
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	4-[3-[(3~{S})-6-methyl-2-oxidanylidene-3-(1~{H}-pyrazol-4-yl)-1~{H}-indol-3-yl]-4-oxidanyl-phenyl]benzene-1,3-dicarboxylic acid

IOQ

IOQ
Name:	2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
Formula:	C20 H10 Cl2 O5
SMILES:	Oc1cc2Oc3cc(O)c(Cl)cc3[C]4(OC(=O)c5ccccc45)c2cc1Cl
InChi:	InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
Synonyms:	2',7'-Dichlorofluorescein
Definition date:	2023-08-02
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

HWN

HWN
Name:	3-[[6-tert-butyl-2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
Formula:	C20 H30 N6 S
SMILES:	CN1CC[CH](C1)N(C)c2nc3cc(sc3c(n2)N(C)CCC#N)C(C)(C)C
InChi:	InChI=1S/C20H30N6S/c1-20(2,3)16-12-15-17(27-16)18(25(5)10-7-9-21)23-19(22-15)26(6)14-8-11-24(4)13-14/h12,14H,7-8,10-11,13H2,1-6H3/t14-/m0/s1
Definition date:	2019-01-02
Last modified:	2023-09-06
Release date:	2020-05-06
Identifier:	3-[[6-~{tert}-butyl-2-[methyl-[(3~{S})-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile

8VB

8VB
Name:	2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid
Formula:	C22 H16 I N O6 S
SMILES:	OC(=O)C(Cc1cccc(NC(=O)c2sc(cc2)C(=O)c3cccc(I)c3)c1)C(O)=O
InChi:	InChI=1S/C22H16INO6S/c23-14-5-2-4-13(11-14)19(25)17-7-8-18(31-17)20(26)24-15-6-1-3-12(9-15)10-16(21(27)28)22(29)30/h1-9,11,16H,10H2,(H,24,26)(H,27,28)(H,29,30)
Synonyms:	JES107
Definition date:	2017-03-10
Last modified:	2023-09-05
Release date:	2018-02-21
Identifier:	2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid

WRL

WRL
Name:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
Formula:	C22 H25 Cl2 N3 O4 S
SMILES:	C[CH](N1C[CH](CO)[CH]2CCC[CH](N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3)C1=O)c4ccccn4
InChi:	InChI=1S/C22H25Cl2N3O4S/c1-14(19-5-2-3-8-25-19)26-12-15(13-28)20-6-4-7-21(22(26)29)27(20)32(30,31)18-10-16(23)9-17(24)11-18/h2-3,5,8-11,14-15,20-21,28H,4,6-7,12-13H2,1H3/t14-,15+,20+,21-/m0/s1
Definition date:	2023-05-17
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one

Y6U

Y6U
Name:	N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid
Formula:	C21 H23 N5 O6
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1)CCCn1ccc2N=C(N)NC(=O)c21
InChi:	InChI=1S/C21H23N5O6/c22-21-24-14-9-11-26(17(14)19(30)25-21)10-1-2-12-3-5-13(6-4-12)18(29)23-15(20(31)32)7-8-16(27)28/h3-6,9,11,15H,1-2,7-8,10H2,(H,23,29)(H,27,28)(H,31,32)(H3,22,24,25,30)/t15-/m0/s1
Definition date:	2023-01-09
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid

Y72

Y72
Name:	N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid
Formula:	C20 H22 F N5 O6 S
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)c1scc(CCCCn2ccc3N=C(N)NC(=O)c32)c1F
InChi:	InChI=1S/C20H22FN5O6S/c21-14-10(9-33-16(14)18(30)23-12(19(31)32)4-5-13(27)28)3-1-2-7-26-8-6-11-15(26)17(29)25-20(22)24-11/h6,8-9,12H,1-5,7H2,(H,23,30)(H,27,28)(H,31,32)(H3,22,24,25,29)/t12-/m0/s1
Definition date:	2023-01-09
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid

Y79

Y79
Name:	N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid
Formula:	C22 H24 F N5 O6
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21
InChi:	InChI=1S/C22H24FN5O6/c23-14-11-12(4-5-13(14)19(31)25-16(21(33)34)6-7-17(29)30)3-1-2-9-28-10-8-15-18(28)20(32)27-22(24)26-15/h4-5,8,10-11,16H,1-3,6-7,9H2,(H,25,31)(H,29,30)(H,33,34)(H3,24,26,27,32)/t16-/m0/s1
Definition date:	2023-01-09
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid

Y7L

Y7L
Name:	N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid
Formula:	C21 H25 N5 O6 S
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)c1ccc(CCCCCn2ccc3N=C(N)NC(=O)c32)s1
InChi:	InChI=1S/C21H25N5O6S/c22-21-24-13-9-11-26(17(13)19(30)25-21)10-3-1-2-4-12-5-7-15(33-12)18(29)23-14(20(31)32)6-8-16(27)28/h5,7,9,11,14H,1-4,6,8,10H2,(H,23,29)(H,27,28)(H,31,32)(H3,22,24,25,30)/t14-/m0/s1
Definition date:	2023-01-10
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid

UMR

UMR
Name:	(1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Formula:	C23 H26 Cl2 N4 O2 S
SMILES:	CN=[S](=O)(N1[CH]2CCC[CH]1C(=O)N(C[CH]2C=C)Cc3ccccn3)c4cc(Cl)cc(Cl)c4
InChi:	InChI=1S/C23H26Cl2N4O2S/c1-3-16-14-28(15-19-7-4-5-10-27-19)23(30)22-9-6-8-21(16)29(22)32(31,26-2)20-12-17(24)11-18(25)13-20/h3-5,7,10-13,16,21-22H,1,6,8-9,14-15H2,2H3/t16-,21+,22-,32-/m0/s1
Definition date:	2023-02-08
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	(1~{S},5~{S},6~{R})-10-[~{S}-[3,5-bis(chloranyl)phenyl]-~{N}-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

XSX

XSX
Name:	3-[(3R)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)
Formula:	C13 H20 N3 O11 P
SMILES:	O=C(O)C(N)CCN1C(=O)C=CN(C1=O)C1OC(COP(=O)(O)O)C(O)C1O
InChi:	InChI=1S/C13H20N3O11P/c14-6(12(20)21)1-3-15-8(17)2-4-16(13(15)22)11-10(19)9(18)7(27-11)5-26-28(23,24)25/h2,4,6-7,9-11,18-19H,1,3,5,14H2,(H,20,21)(H2,23,24,25)/t6-,7-,9-,10-,11-/m1/s1
Definition date:	2022-12-07
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	3-[(3R)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)

ZWE

ZWE
Name:	N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
Formula:	C16 H12 F5 N5 O2
SMILES:	Nc1ncc(cn1)NC(=O)NC(c1oc2c(F)cc(F)cc2c1C)C(F)(F)F
InChi:	InChI=1S/C16H12F5N5O2/c1-6-9-2-7(17)3-10(18)12(9)28-11(6)13(16(19,20)21)26-15(27)25-8-4-23-14(22)24-5-8/h2-5,13H,1H3,(H2,22,23,24)(H2,25,26,27)/t13-/m1/s1
Definition date:	2023-07-06
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea

UQI

UQI
Name:	(1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Formula:	C22 H24 Cl2 N4 O2 S
SMILES:	Clc1cc(Cl)cc(c1)[S](=N)(=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)Cc4ccccn4
InChi:	InChI=1S/C22H24Cl2N4O2S/c1-2-15-13-27(14-18-6-3-4-9-26-18)22(29)21-8-5-7-20(15)28(21)31(25,30)19-11-16(23)10-17(24)12-19/h2-4,6,9-12,15,20-21,25H,1,5,7-8,13-14H2/t15-,20+,21-,31+/m0/s1
Definition date:	2023-02-09
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	(1~{S},5~{S},6~{R})-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

USV

USV
Name:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Formula:	C22 H23 Cl2 N3 O3 S
SMILES:	Clc1cc(Cl)cc(c1)[S](=O)(=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)Cc4ccccn4
InChi:	InChI=1S/C22H23Cl2N3O3S/c1-2-15-13-26(14-18-6-3-4-9-25-18)22(28)21-8-5-7-20(15)27(21)31(29,30)19-11-16(23)10-17(24)12-19/h2-4,6,9-12,15,20-21H,1,5,7-8,13-14H2/t15-,20+,21-/m0/s1
Definition date:	2023-02-11
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

YWE

YWE
Name:	(1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate
Formula:	C21 H18 Cl F2 N5 O3
SMILES:	Cn1cnc(COC(=O)NC2CCc3c(ccc(F)c32)C(=O)Nc2ccc(F)c(Cl)c2)n1
InChi:	InChI=1S/C21H18ClF2N5O3/c1-29-10-25-18(28-29)9-32-21(31)27-17-7-4-12-13(3-6-16(24)19(12)17)20(30)26-11-2-5-15(23)14(22)8-11/h2-3,5-6,8,10,17H,4,7,9H2,1H3,(H,26,30)(H,27,31)/t17-/m0/s1
Definition date:	2023-03-01
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	(1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate

UT6

UT6
Name:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Formula:	C22 H23 Cl2 N3 O2 S
SMILES:	Clc1cc(Cl)cc(c1)[S](=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)Cc4ccccn4
InChi:	InChI=1S/C22H23Cl2N3O2S/c1-2-15-13-26(14-18-6-3-4-9-25-18)22(28)21-8-5-7-20(15)27(21)30(29)19-11-16(23)10-17(24)12-19/h2-4,6,9-12,15,20-21H,1,5,7-8,13-14H2/t15-,20+,21-,30+/m0/s1
Definition date:	2023-02-11
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	(1~{S},5~{S},6~{R})-10-[(~{R})-[3,5-bis(chloranyl)phenyl]sulfinyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

UUI

UUI
Name:	(1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Formula:	C22 H24 Cl2 N4 O2 S
SMILES:	Clc1cc(Cl)cc(c1)[S](=N)(=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)Cc4ccccn4
InChi:	InChI=1S/C22H24Cl2N4O2S/c1-2-15-13-27(14-18-6-3-4-9-26-18)22(29)21-8-5-7-20(15)28(21)31(25,30)19-11-16(23)10-17(24)12-19/h2-4,6,9-12,15,20-21,25H,1,5,7-8,13-14H2/t15-,20+,21-,31-/m0/s1
Definition date:	2023-02-14
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	(1~{S},5~{S},6~{R})-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

JOC

JOC
Name:	Trioxacarcin A, bound form
Formula:	C42 H54 O20
SMILES:	COC(OC)[C]12O[CH]3[CH](O1)[C](O[CH]4C[CH](O)[C](O)([CH](C)O4)C(C)=O)(Oc5c3c(C)cc6c(OC)c7[CH](C[CH](O)C(=O)c7c(O)c56)O[CH]8C[C](C)(O)[CH](OC(C)=O)[CH](C)O8)[C]2(C)O
InChi:	InChI=1S/C42H54O20/c1-15-11-20-27(31(48)29-28(32(20)52-8)22(12-21(45)30(29)47)58-25-14-38(6,49)35(16(2)55-25)57-19(5)44)33-26(15)34-36-41(60-33,39(7,50)42(61-34,62-36)37(53-9)54-10)59-24-13-23(46)40(51,17(3)43)18(4)56-24/h11,16,18,21-25,34-37,45-46,48-51H,12-14H2,1-10H3/t16-,18-,21-,22-,23+,24-,25-,34-,35+,36-,38+,39-,40+,41+,42-/m0/s1
Definition date:	2022-08-24
Last modified:	2023-09-01
Release date:	2023-09-06

L2V

L2V
Name:	N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide
Formula:	C32 H28 N6 O2
SMILES:	CCNC(=O)[CH](Cc1cccc(c1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4
InChi:	InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-11-13-27-29(19-25)37-21(3)20(2)36-27)18-24-7-5-6-22(16-24)8-9-23-10-12-26-28(17-23)35-15-14-34-26/h5-7,10-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	~{N}-[(2~{R})-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide

LOO

LOO
Name:	2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid
Formula:	C23 H23 F3 N2 O5
SMILES:	Cc1cc(CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F)cc(C)c1OC(C)(C)C(O)=O
InChi:	InChI=1S/C23H23F3N2O5/c1-13-9-15(10-14(2)19(13)33-22(3,4)20(30)31)11-28-18(29)12-27(21(28)32)17-7-5-16(6-8-17)23(24,25)26/h5-10H,11-12H2,1-4H3,(H,30,31)
Definition date:	2022-12-01
Last modified:	2023-09-01
Release date:	2023-09-06
Identifier:	2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid

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