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PDB Info pages Status search Chemie search: 2499 results BIRD

DYQ

DYQ
Name:	1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
Formula:	C21 H17 N5 O3
SMILES:	O=C1N(C)C2CC2C1(O)C#Cc1cc(ccc1)n1nc(c2cccnc21)C(N)=O
InChi:	InChI=1S/C21H17N5O3/c1-25-16-11-15(16)21(29,20(25)28)8-7-12-4-2-5-13(10-12)26-19-14(6-3-9-23-19)17(24-26)18(22)27/h2-6,9-10,15-16,29H,11H2,1H3,(H2,22,27)/t15-,16+,21-/m0/s1
Definition date:	2021-12-01
Last modified:	2023-06-02
Release date:	2023-06-07
Identifier:	1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide

I5O

I5O
Name:	2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-8-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene
Formula:	C25 H24 B F2 N4 O2
SMILES:	Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2c4cc[n+](Cc5ccc(cc5)[N](=O)=O)cc4
InChi:	InChI=1S/C25H24BF2N4O2/c1-16-13-18(3)30-24(16)23(25-17(2)14-19(4)31(25)26(30,27)28)21-9-11-29(12-10-21)15-20-5-7-22(8-6-20)32(33)34/h5-14H,15H2,1-4H3/q+1
Definition date:	2022-06-10
Last modified:	2023-05-26
Release date:	2023-05-31
Identifier:	2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-8-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene

ZHL

ZHL
Name:	(3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C16 H23 N O8
SMILES:	CC(=O)NC1C(O)C(O)C(CO)OC1OC1C2OC(=O)C3CC1CC23
InChi:	InChI=1S/C16H23NO8/c1-5(19)17-10-12(21)11(20)9(4-18)23-16(10)25-13-6-2-7-8(3-6)15(22)24-14(7)13/h6-14,16,18,20-21H,2-4H2,1H3,(H,17,19)/t6-,7+,8-,9+,10+,11+,12+,13-,14-,16-/m0/s1
Definition date:	2023-03-10
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside

N6U

N6U
Name:	~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide
Formula:	C9 H11 N3 O2 S
SMILES:	CC[S](=O)(=O)Nc1ccnc2[nH]ccc12
InChi:	InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-4-6-11-9-7(8)3-5-10-9/h3-6H,2H2,1H3,(H2,10,11,12)
Definition date:	2022-08-12
Last modified:	2023-05-15
Release date:	2022-09-28
Identifier:	~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide

YII

YII
Name:	3-[(3-aminophenyl)methyl]-5-methyl-7-[methyl(oxidanyl)-$l^{3}-sulfanyl]pyridazino[4,5-b]indol-4-one
Formula:	C19 H18 N4 O2 S
SMILES:	CS(=O)c1cc2c(cc1)c1C=NN(Cc3cccc(N)c3)C(=O)c1n2C
InChi:	InChI=1S/C19H18N4O2S/c1-22-17-9-14(26(2)25)6-7-15(17)16-10-21-23(19(24)18(16)22)11-12-4-3-5-13(20)8-12/h3-10H,11,20H2,1-2H3/t26-/m1/s1
Definition date:	2023-02-06
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	3-[(3-aminophenyl)methyl]-7-[(R)-methanesulfinyl]-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one

IUE

IUE
Name:	3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
Formula:	C13 H14 Cl N3 O2 S
SMILES:	Cc1c(Cl)c(nc2sc(c(N)c12)C(=O)NC1CC1)OC
InChi:	InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18)
Definition date:	2022-01-31
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide

LD3

LD3
Name:	meta-carboran-propylsulfonamid
Formula:	C5 H8 B10 N O2 S
SMILES:	N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19
InChi:	InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-6-4-7(5,6)9(4)10(4)8(4,6)11(5,6)13(5)12(5,7,9)15(9,10,13)14(8,10,11)13/h1-3H2,(H2,16,17,18)
Definition date:	2022-06-30
Last modified:	2023-05-05
Release date:	2023-05-10

U99

U99
Name:	methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate
Formula:	C23 H30 O8
SMILES:	O=C(OC)C1CC(OCOC)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1
InChi:	InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
Definition date:	2022-08-11
Last modified:	2023-04-28
Release date:	2023-05-03
Identifier:	methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate

GIH

GIH
Name:	(2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Formula:	C22 H25 F N5 O5 P
SMILES:	CO[P](=O)(OC)c1cnc(N[CH]2C3CCC(CC3)[CH]2C(O)=O)nc1c4c[nH]c5ncc(F)cc45
InChi:	InChI=1S/C22H25FN5O5P/c1-32-34(31,33-2)16-10-26-22(27-18-12-5-3-11(4-6-12)17(18)21(29)30)28-19(16)15-9-25-20-14(15)7-13(23)8-24-20/h7-12,17-18H,3-6H2,1-2H3,(H,24,25)(H,29,30)(H,26,27,28)/t11-,12+,17-,18-/m0/s1
Definition date:	2022-05-10
Last modified:	2023-04-28
Release date:	2023-05-03
Identifier:	(2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid

U70

U70
Name:	[(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
Formula:	C22 H21 Cl2 N7 S
SMILES:	Cc1csc(n1)[C]2(CN)[CH]3CCN(C[CH]23)c4cnc5c([nH]nc5n4)c6cccc(Cl)c6Cl
InChi:	InChI=1S/C22H21Cl2N7S/c1-11-9-32-21(27-11)22(10-25)13-5-6-31(8-14(13)22)16-7-26-19-18(29-30-20(19)28-16)12-3-2-4-15(23)17(12)24/h2-4,7,9,13-14H,5-6,8,10,25H2,1H3,(H,28,29,30)/t13-,14+,22+/m1/s1
Definition date:	2023-01-26
Last modified:	2023-04-21
Release date:	2023-04-26
Identifier:	[(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

F4I

F4I
Name:	(2~{S})-2-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid
Formula:	C24 H29 N4 O15 P
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)C(C)OP(=O)(O)OCC(O)C(O)C(O)CN1C=2NC(=O)NC(=O)C=2C=C2C=CC(=O)C=C21
InChi:	InChI=1S/C24H29N4O15P/c1-10(21(35)25-14(23(37)38)4-5-18(32)33)43-44(40,41)42-9-17(31)19(34)16(30)8-28-15-7-12(29)3-2-11(15)6-13-20(28)26-24(39)27-22(13)36/h2-3,6-7,10,14,16-17,19,30-31,34H,4-5,8-9H2,1H3,(H,25,35)(H,32,33)(H,37,38)(H,40,41)(H2,26,27,36,39)/t10-,14-,16-,17+,19-/m0/s1
Synonyms:	Coeznyme F420-1
Definition date:	2020-02-19
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	(2S)-2-[(2S)-2-{[(R)-hydroxy({(2R,3S,4S)-2,3,4-trihydroxy-5-[(5aP)-2,4,8-trioxo-1,3,4,8-tetrahydropyrimido[4,5-b]quinolin-10(2H)-yl]pentyl}oxy)phosphoryl]oxy}propanamido]pentanedioic acid (non-preferred name)

OZ0

OZ0
Name:	3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid
Formula:	C11 H16 B N O6 S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O
InChi:	InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m1/s1
Definition date:	2022-05-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid

OZ9

OZ9
Name:	3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid
Formula:	C11 H16 B N O6 S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O
InChi:	InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m0/s1
Definition date:	2022-05-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid

OZF

OZF
Name:	3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
Formula:	C11 H17 B N O9 P S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O
InChi:	InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m1/s1
Definition date:	2022-05-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid

OZO

OZO
Name:	3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
Formula:	C11 H17 B N O9 P S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O
InChi:	InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m0/s1
Definition date:	2022-05-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid

HFI

HFI
Name:	1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol
Formula:	C12 H10 N2 O
SMILES:	Cc1nccc2c1[nH]c3cc(O)ccc23
InChi:	InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3
Synonyms:	harmol
Definition date:	2022-05-25
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol

O93

O93
Name:	2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:	C12 H27 B N2 O5
SMILES:	CN(C)C[CH]1CC[CH](CC[B](O)(O)[OH2+])C[C]1(N)C(O)=O
InChi:	InChI=1S/C12H27BN2O5/c1-15(2)8-10-4-3-9(5-6-13(18,19)20)7-12(10,14)11(16)17/h9-10,18-19H,3-8,14,20H2,1-2H3,(H,16,17)/q+1/t9-,10-,12+/m0/s1
Definition date:	2022-08-30
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-oxidaniumyl-bis(oxidanyl)boron

ZM0

ZM0
Name:	4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide
Formula:	C19 H27 N3 O2 S2
SMILES:	CC(C)(C)C(C)CNC(=O)N1CCN(CC1)C(=O)c1cc2sccc2s1
InChi:	InChI=1S/C19H27N3O2S2/c1-13(19(2,3)4)12-20-18(24)22-8-6-21(7-9-22)17(23)16-11-15-14(26-16)5-10-25-15/h5,10-11,13H,6-9,12H2,1-4H3,(H,20,24)/t13-/m1/s1
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide

U6S

U6S
Name:	(4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide
Formula:	C22 H20 N6 O
SMILES:	O=C(Nc1cnccc1c1ccccc1)c1ccnn2c(cnc12)NCC1CC1
InChi:	InChI=1S/C22H20N6O/c29-22(27-19-13-23-10-8-17(19)16-4-2-1-3-5-16)18-9-11-26-28-20(14-25-21(18)28)24-12-15-6-7-15/h1-5,8-11,13-15,24H,6-7,12H2,(H,27,29)
Definition date:	2022-08-08
Last modified:	2023-03-17
Release date:	2023-03-22
Identifier:	(4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide

UAU

UAU
Name:	(4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
Formula:	C23 H22 N6 O2
SMILES:	O=C(Nc1cnccc1N1CC(C)OCC1)c1ccnn2cc(nc21)c1ccccc1
InChi:	InChI=1S/C23H22N6O2/c1-16-14-28(11-12-31-16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-15-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,27,30)/t16-/m0/s1
Definition date:	2022-08-15
Last modified:	2023-03-17
Release date:	2023-03-22
Identifier:	(4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

97F

97F
Name:	(2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide
Formula:	C21 H20 N6 O2
SMILES:	C[CH](Nc1cc(nn2c(C)nnc12)c3ccccc3Oc4ccccc4)C(N)=O
InChi:	InChI=1S/C21H20N6O2/c1-13(20(22)28)23-18-12-17(26-27-14(2)24-25-21(18)27)16-10-6-7-11-19(16)29-15-8-4-3-5-9-15/h3-13,23H,1-2H3,(H2,22,28)/t13-/m1/s1
Definition date:	2022-03-10
Last modified:	2023-03-17
Release date:	2023-03-22
Identifier:	(2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide

VA0

VA0
Name:	Rifamycin S
Formula:	C37 H45 N O12
SMILES:	CC(=O)OC1C(C)C(OC)C=COC2(C)Oc3c(C)c(O)c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C1C
InChi:	InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10?,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
Synonyms:	(2S,12Z,14Z,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
Definition date:	2022-08-18
Last modified:	2023-03-10
Release date:	2023-03-15
Identifier:	(2S,12Z,14Z,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate

WJK

WJK
Name:	(2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
Formula:	C23 H22 N6 O
SMILES:	CCC1CN(Cc2ccc(cc2)c2ccccc2c2nnn[NH]2)c2ncccc2O1
InChi:	InChI=1S/C23H22N6O/c1-2-18-15-29(23-21(30-18)8-5-13-24-23)14-16-9-11-17(12-10-16)19-6-3-4-7-20(19)22-25-27-28-26-22/h3-13,18H,2,14-15H2,1H3,(H,25,26,27,28)/t18-/m0/s1
Definition date:	2022-09-14
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

T6B

T6B
Name:	[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone
Formula:	C17 H17 N3 O3
SMILES:	Cn1ccc2c(ccnc12)c3oc(cc3)C(=O)N4CCOCC4
InChi:	InChI=1S/C17H17N3O3/c1-19-7-5-13-12(4-6-18-16(13)19)14-2-3-15(23-14)17(21)20-8-10-22-11-9-20/h2-7H,8-11H2,1H3
Synonyms:	1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine
Definition date:	2022-12-21
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone

R9H

R9H
Name:	Anderson-Evans polyoxometalate (biotin-functionalised)
Formula:	C28 H42 Mn Mo6 N6 O28 S2
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NC34C[O++]56[Mo]78O[Mo]59O[Mo]%10%11O[Mo]%12%13O[Mo]%14%15O[Mo]%16(O7)[O++]%14(C3)[Mn]6%17%18([O++]%10%12C4)[O++]8%16CC(C[O++]9%11%17)(C[O++]%13%15%18)NC(=O)CCC=C[CH]%19SC[CH]%20NC(=O)N[CH]%19%20
InChi:	InChI=1S/C14H22N3O5S.C14H20N3O5S.Mn.6Mo.12H2O.6O/c2*18-6-14(7-19,8-20)17-11(21)4-2-1-3-10-12-9(5-23-10)15-13(22)16-12
Definition date:	2022-11-28
Last modified:	2023-03-03
Release date:	2023-03-08

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