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NUO

NUO
Name:	2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C19 H26 Cl N3 O2
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3ccccc3
InChi:	InChI=1S/C19H26ClN3O2/c20-13-17(24)21-14-15-7-11-23(12-8-15)18(25)19(9-4-10-19)22-16-5-2-1-3-6-16/h1-3,5-6,15,22H,4,7-14H2,(H,21,24)
Definition date:	2022-08-23
Last modified:	2023-09-23
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide

NUX

NUX
Name:	1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one
Formula:	C24 H26 Cl2 F2 N2 O3 S
SMILES:	CCC(F)(F)C(=O)C[S](=O)c1ccc(cc1Cl)C(=O)N2CCN([CH](C)[CH]2C)c3cccc(Cl)c3
InChi:	InChI=1S/C24H26Cl2F2N2O3S/c1-4-24(27,28)22(31)14-34(33)21-9-8-17(12-20(21)26)23(32)30-11-10-29(15(2)16(30)3)19-7-5-6-18(25)13-19/h5-9,12-13,15-16H,4,10-11,14H2,1-3H3/t15-,16-,34+/m0/s1
Synonyms:	1-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl-3,3-bis(fluoranyl)pentan-2-one
Definition date:	2022-08-23
Last modified:	2023-09-23
Release date:	2023-08-23
Identifier:	1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one

NIB

NIB
Name:	N-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide
Formula:	C22 H29 Cl2 N3 O3
SMILES:	ClCC(=O)N1CCC2(CC1)CC(C2)NC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4
InChi:	InChI=1S/C22H29Cl2N3O3/c23-15-19(28)27-9-5-21(6-10-27)13-18(14-21)25-20(29)22(7-11-30-12-8-22)26-17-3-1-16(24)2-4-17/h1-4,18,26H,5-15H2,(H,25,29)
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-09-20
Identifier:	~{N}-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide

WO2

WO2
Name:	OCTADECATUNGSTENYL DIPHOSPHATE
Formula:	O62 P2 W18
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[P]23O[W]456O[W]78O[W]9%10O[W]%11%12O[W]%13(O7)O[W]%14%15(O[P]%16%17O[W]%18%19(O%11)O[W]%20%21O[W]%22%23O[W]1(O9)(O%18)O[W]%24%25(O%22)O[W]%26(O%10)(O8)O[W](O4)(O[W](O2)(O%23)(O5)O[W](O%16)(O%20)(O%14)O[W]%27%28(O%15)O[W]%29(O%12)(O%13)O[W](O%21)(O%19)(O%27)[O]%17%28%29)(O%24)[O]3%25%26)O6
InChi:	InChI=1S/2HO4P.18H2O.36O.18W/c2*1-5(2,3)4
Definition date:	2000-01-20
Last modified:	2023-09-23
Identifier:	oxygen; phosphorus; tungsten

ZNH

ZNH
Name:	PROTOPORPHYRIN IX CONTAINING ZN
Formula:	C34 H32 N4 O4 Zn
SMILES:	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	2001-03-01
Last modified:	2023-09-23

NJ3

NJ3
Name:	2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
Formula:	C25 H35 Cl2 N3 O3
SMILES:	C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC4(CCN(CC4)C(=O)CCl)CC3
InChi:	InChI=1S/C25H35Cl2N3O3/c1-18-15-25(16-19(2)33-18,28-21-5-3-20(27)4-6-21)23(32)30-13-9-24(10-14-30)7-11-29(12-8-24)22(31)17-26/h3-6,18-19,28H,7-17H2,1-2H3/t18-,19+,25+
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-09-20
Identifier:	2-chloranyl-1-[3-[(2~{R},6~{S})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone

NJC

NJC
Name:	(2S,6R)-N-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide
Formula:	C25 H35 Cl2 N3 O3
SMILES:	C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)NCC3CC4(CCN(CC4)C(=O)CCl)C3
InChi:	InChI=1S/C25H35Cl2N3O3/c1-17-11-25(12-18(2)33-17,29-21-5-3-20(27)4-6-21)23(32)28-16-19-13-24(14-19)7-9-30(10-8-24)22(31)15-26/h3-6,17-19,29H,7-16H2,1-2H3,(H,28,32)/t17-,18+,25+
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-09-20
Identifier:	(2~{S},6~{R})-~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide

NJI

NJI
Name:	2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
Formula:	C21 H27 Cl2 N3 O3
SMILES:	ClCC(=O)N1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1
InChi:	InChI=1S/C21H27Cl2N3O3/c22-13-18(27)26-14-20(15-26)5-9-25(10-6-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-09-20
Identifier:	2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

NJR

NJR
Name:	2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide
Formula:	C18 H25 Cl2 N3 O2
SMILES:	CC(C)(Nc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C18H25Cl2N3O2/c1-18(2,22-15-5-3-14(20)4-6-15)17(25)23-9-7-13(8-10-23)12-21-16(24)11-19/h3-6,13,22H,7-12H2,1-2H3,(H,21,24)
Synonyms:	prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide

PMR

PMR
Name:	Protochlorophyllide
Formula:	C35 H32 Mg N4 O5
SMILES:	CCC1=C(C)C2=[N+]3C1=Cc4n5c6C(=C7C(=C(C)C8=[N+]7[Mg]35[N]9C(=C8)C(=C(C=C)C9=C2)C)CCC(O)=O)[CH](C(=O)OC)C(=O)c6c4C
InChi:	InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22
Definition date:	2008-04-24
Last modified:	2023-09-23

NK6

NK6
Name:	N-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
Formula:	C21 H30 Cl2 N4 O2
SMILES:	N[CH]1CC[C](CC1)(Nc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl
InChi:	InChI=1S/C21H30Cl2N4O2/c22-13-19(28)25-14-15-7-11-27(12-8-15)20(29)21(9-5-17(24)6-10-21)26-18-3-1-16(23)2-4-18/h1-4,15,17,26H,5-14,24H2,(H,25,28)/t17-,21-
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-09-20
Identifier:	~{N}-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide

YM6

YM6
Name:	1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
Formula:	C14 H16 N6 O
SMILES:	NC[CH]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23
InChi:	InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)/t9-/m1/s1
Definition date:	2011-06-06
Last modified:	2023-09-23
Identifier:	[(2~{R})-4-(4,6,8,11-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-3-yl)morpholin-2-yl]methanamine

NKL

NKL
Name:	2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
Formula:	C21 H27 Cl2 N3 O3
SMILES:	ClCC(=O)N1CCC2(CC1)CN(C2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4
InChi:	InChI=1S/C21H27Cl2N3O3/c22-13-18(27)25-9-5-20(6-10-25)14-26(15-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-09-20
Identifier:	2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

NL1

NL1
Name:	1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide
Formula:	C15 H19 N5 O2
SMILES:	NC(=O)c1cnc2n(CC(=O)NC3CCNCC3)ccc2c1
InChi:	InChI=1S/C15H19N5O2/c16-14(22)11-7-10-3-6-20(15(10)18-8-11)9-13(21)19-12-1-4-17-5-2-12/h3,6-8,12,17H,1-2,4-5,9H2,(H2,16,22)(H,19,21)
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-06-14
Identifier:	1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide

NLL

NLL
Name:	1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide
Formula:	C16 H16 N4 O
SMILES:	NCc1ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1
InChi:	InChI=1S/C16H16N4O/c17-8-11-1-3-12(4-2-11)10-20-6-5-13-7-14(15(18)21)9-19-16(13)20/h1-7,9H,8,10,17H2,(H2,18,21)
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-06-14
Identifier:	1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide

POR

POR
Name:	PORPHYRIN FE(III)
Formula:	C20 H12 Fe N4
SMILES:	[Fe]1n2c3ccc2C=C4C=CC(=N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N15
InChi:	InChI=1S/C20H12N4.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14
Definition date:	1999-07-08
Last modified:	2023-09-23

ZRL

ZRL
Name:	7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
Formula:	C12 H7 Br N2 O S
SMILES:	BrC1=CNC(=O)c2cc(sc12)c3ccncc3
InChi:	InChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16)
Definition date:	2011-06-17
Last modified:	2023-09-23
Release date:	2011-06-29
Identifier:	7-bromanyl-2-pyridin-4-yl-5~{H}-thieno[3,2-c]pyridin-4-one

VER

VER
Name:	IRON-OCTAETHYLPORPHYRIN
Formula:	C30 H27 Fe N4 O3
SMILES:	CC1=CC2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=[O+]c4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C30H28N4O3.Fe/c1-7-20-18(6)29-34-27(20)14-24-17(5)22(9-10-28(35)36)26(32-24)12-19-11-15(3)23(31-19)13-25-16(4)21(8-2)30(33-25)37-29
Synonyms:	VERDOHEME
Definition date:	2004-07-28
Last modified:	2023-09-23

Q3Z

Q3Z
Name:	Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)
Formula:	C20 H17 N5 O4 Pt
SMILES:	N.N.[Pt].O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35
InChi:	InChI=1S/C20H11N3O4.2H3N.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10
Definition date:	2023-03-23
Last modified:	2023-09-23
Release date:	2023-06-28

NMV

NMV
Name:	6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
Formula:	C14 H16 N4 O
SMILES:	NCc1ccc(CNc2ccc(cn2)C(N)=O)cc1
InChi:	InChI=1S/C14H16N4O/c15-7-10-1-3-11(4-2-10)8-17-13-6-5-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-06-14
Identifier:	6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide

ZSV

ZSV
Name:	(R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
Formula:	C32 H35 N2 O8
SMILES:	COc1ccc(CNC(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O)cc1
InChi:	InChI=1S/C32H34N2O8/c1-3-16-34(18-22-6-4-5-7-26(22)31(37)33-17-21-8-11-24(40-2)12-9-21)19-23-10-14-27-30(29(23)32(38)39)41-20-25(42-27)13-15-28(35)36/h3-12,14,25H,1,13,15-20H2,2H3,(H,33,37)(H,35,36)(H,38,39)/p+1/t25-/m0/s1
Definition date:	2011-07-01
Last modified:	2023-09-23
Identifier:	[(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium

ZSW

ZSW
Name:	(R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
Formula:	C28 H35 N2 O7
SMILES:	CC[CH](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3O[CH](CCC(O)=O)COc3c2C(O)=O
InChi:	InChI=1S/C28H34N2O7/c1-4-14-30(15-19-8-6-7-9-22(19)27(33)29-18(3)5-2)16-20-10-12-23-26(25(20)28(34)35)36-17-21(37-23)11-13-24(31)32/h4,6-10,12,18,21H,1,5,11,13-17H2,2-3H3,(H,29,33)(H,31,32)(H,34,35)/p+1/t18-,21+/m1/s1
Definition date:	2011-07-01
Last modified:	2023-09-23
Identifier:	[2-[[(2~{R})-butan-2-yl]carbamoyl]phenyl]methyl-[[(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium

NN9

NN9
Name:	6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
Formula:	C14 H16 N4 O
SMILES:	NCc1cccc(CNc2ccc(cn2)C(N)=O)c1
InChi:	InChI=1S/C14H16N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-06-14
Identifier:	6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide

KEG

KEG
Name:	12-TUNGSTOPHOSPHATE
Formula:	O40 P W12
SMILES:	O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]%10%11%12(=O)O[W]%13%14(=O)(O2)O[W]%15%16(=O)(O3)O[W]%17%18(=O)(O5)O[W]%19%20(=O)(O6)O[W]%21(=O)(O8)(O%10)O[W]%22%23(=O)(O%19)O[W]%24(=O)(O%15)(O%17)O[W](=O)(O%13)(O%11)(O%22)[O]%12%14[P]([O]479)([O]%16%18%24)[O]%20%21%23
InChi:	InChI=1S/HO4P.36O.12W/c1-5(2,3)4
Definition date:	2002-12-23
Last modified:	2023-09-23

PCD

PCD
Name:	(MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V)
Formula:	C19 H26 Mo N8 O16 P2 S2
SMILES:	O.NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]4Nc5nc(N)nc(O)c5N[CH]4C6=C3S[Mo](=O)(=O)S6)[CH](O)[CH]2O
InChi:	InChI=1S/C19H26N8O13P2S2.Mo.H2O.2O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14
Synonyms:	MOLYBDENUM COFACTOR
Definition date:	1999-07-08
Last modified:	2023-09-23
Identifier:	[[(1~{R},10~{R},16~{R})-5-azanyl-13-$l^{3}-oxidanyl-7-oxidanyl-13,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{7}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,6,11(15)-tetraen-16-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

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223532

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