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GE7

GE7
Name:	(2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid
Formula:	C23 H25 N O3
SMILES:	O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c1ccc(C)cc1
InChi:	InChI=1S/C23H25NO3/c1-14-10-12-16(13-11-14)20-17-8-6-7-9-18(17)24-15(2)19(20)21(22(25)26)27-23(3,4)5/h6-13,21H,1-5H3,(H,25,26)/t21-/m0/s1
Definition date:	2021-12-20
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid

GEI

GEI
Name:	(2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid
Formula:	C34 H43 F N2 O4
SMILES:	Fc1ccc(cc1)CCOc1ccc(cc1)c1c(c(c(C)nc1C)C(OC(C)(C)C)C(=O)O)N1CCC(C)(C)CC1
InChi:	InChI=1S/C34H43FN2O4/c1-22-28(25-10-14-27(15-11-25)40-21-16-24-8-12-26(35)13-9-24)30(37-19-17-34(6,7)18-20-37)29(23(2)36-22)31(32(38)39)41-33(3,4)5/h8-15,31H,16-21H2,1-7H3,(H,38,39)/t31-/m0/s1
Definition date:	2021-12-20
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid

1L3

1L3
Name:	Menaquinone-4
Formula:	C31 H40 O2
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
InChi:	InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
Synonyms:	vitamin K2
Definition date:	2021-07-02
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione

I0O

I0O
Name:	4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose
Formula:	C50 H84 N O7 P
SMILES:	OP(=O)(OC1OCC(N)C(O)C1O)OCC=C(/C)CCC=C(/C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:	InChI=1S/C50H84NO7P/c1-38(2)19-11-20-39(3)21-12-22-40(4)23-13-24-41(5)25-14-26-42(6)27-15-28-43(7)29-16-30-44(8)31-17-32-45(9)33-18-34-46(10)35-36-57-59(54,55)58-50-49(53)48(52)47(51)37-56-50/h19,21,23,25,27,29,31,33,35,47-50,52-53H,11-18,20,22,24,26,28,30,32,34,36-37,51H2,1-10H3,(H,54,55)/b39-21+,40-23+,41-25+,42-27-,43-29-,44-31-,45-33+,46-35+/t47-,48-,49+,50-/m0/s1
Definition date:	2022-01-04
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose

I1T

I1T
Name:	(1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid
Formula:	C15 H21 N2 O8 P
SMILES:	O=P(O)(O)OCc1c[nH+]c(C)c([O-])c1C[NH2+]C1CC(CC1C=O)C([O-])=O
InChi:	InChI=1S/C15H21N2O8P/c1-8-14(19)12(11(4-16-8)7-25-26(22,23)24)5-17-13-3-9(15(20)21)2-10(13)6-18/h4,6,9-10,13,17,19H,2-3,5,7H2,1H3,(H,20,21)(H2,22,23,24)/t9-,10-,13-/m0/s1
Definition date:	2022-01-06
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(1S,3R,4S)-3-formyl-4-[({2-methyl-3-oxido-5-[(phosphonooxy)methyl]pyridin-1-ium-4-yl}methyl)azaniumyl]cyclopentane-1-carboxylate

I2V

I2V
Name:	(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid
Formula:	C7 H12 F N O2
SMILES:	FCC1CC(CC1N)C(=O)O
InChi:	InChI=1S/C7H12FNO2/c8-3-5-1-4(7(10)11)2-6(5)9/h4-6H,1-3,9H2,(H,10,11)/t4-,5+,6-/m0/s1
Definition date:	2022-01-07
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid

CZF

CZF
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H15 N4 O15 P3
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23
InChi:	InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
Synonyms:	xanthosine triphosphate
Definition date:	2019-05-24
Last modified:	2022-03-28
Release date:	2020-06-24
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

UT2

UT2
Name:	N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
Formula:	C19 H17 N3 O7 S2
SMILES:	COc1ccc(N[S](=O)(=O)c2cc(NC(=O)c3sc(cc3)[N](=O)=O)ccc2OC)cc1
InChi:	InChI=1S/C19H17N3O7S2/c1-28-14-6-3-12(4-7-14)21-31(26,27)17-11-13(5-8-15(17)29-2)20-19(23)16-9-10-18(30-16)22(24)25/h3-11,21H,1-2H3,(H,20,23)
Synonyms:	~{N}-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide
Definition date:	2021-03-16
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	~{N}-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide

UUE

UUE
Name:	8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene
Formula:	C21 H28 B F2 N5
SMILES:	CCn1cc(CCCCC2=C3C(=CC(=[N+]3[B-](F)(F)n4c(C)cc(C)c24)C)C)nn1
InChi:	InChI=1S/C21H28BF2N5/c1-6-27-13-18(25-26-27)9-7-8-10-19-20-14(2)11-16(4)28(20)22(23,24)29-17(5)12-15(3)21(19)29/h11-13H,6-10H2,1-5H3
Definition date:	2021-03-19
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene

IO5

IO5
Name:	(2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide
Formula:	C24 H28 N6 O2 S
SMILES:	NC(=O)C(Sc1nc(N2CCCN(CCO)CC2)c(C#N)c(CC)c1C#N)c1ccccc1
InChi:	InChI=1S/C24H28N6O2S/c1-2-18-19(15-25)23(30-10-6-9-29(11-12-30)13-14-31)28-24(20(18)16-26)33-21(22(27)32)17-7-4-3-5-8-17/h3-5,7-8,21,31H,2,6,9-14H2,1H3,(H2,27,32)/t21-/m0/s1
Definition date:	2021-10-04
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	(2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide

K33

K33
Name:	2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose
Formula:	C26 H51 N O15 P2
SMILES:	O=P(O)(O)OC1CCC(O)C(COC2OC(CO)C(OP(=O)(O)O)C(O)C2NC(=O)CCCCCCCCCCCCC)O1
InChi:	InChI=1S/C26H51NO15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(30)27-23-24(31)25(42-44(35,36)37)19(16-28)40-26(23)38-17-20-18(29)14-15-22(39-20)41-43(32,33)34/h18-20,22-26,28-29,31H,2-17H2,1H3,(H,27,30)(H2,32,33,34)(H2,35,36,37)/t18-,19+,20-,22+,23+,24-,25-,26-/m1/s1
Definition date:	2022-02-02
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose

YD8

YD8
Name:	1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
Formula:	C20 H25 N5 O
SMILES:	CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4[nH]c(C)c(C(C)=O)c4C
InChi:	InChI=1S/C20H25N5O/c1-12-18(14(3)26)13(2)21-19(12)20-22-16-6-5-15(11-17(16)23-20)25-9-7-24(4)8-10-25/h5-6,11,21H,7-10H2,1-4H3,(H,22,23)
Definition date:	2021-04-06
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1~{H}-benzimidazol-2-yl]-1~{H}-pyrrol-3-yl]ethanone

J3R

J3R
Name:	3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
Formula:	C10 H10 N4 O5
SMILES:	CN(CCC(O)=O)c1ccc(c2nonc12)[N+]([O-])=O
InChi:	InChI=1S/C10H10N4O5/c1-13(5-4-8(15)16)6-2-3-7(14(17)18)10-9(6)11-19-12-10/h2-3H,4-5H2,1H3,(H,15,16)
Definition date:	2021-04-01
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid

J4O

J4O
Name:	1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]ethanone
Formula:	C20 H24 N4 O2
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2[nH]c3cc(ccc3n2)N4CCOCC4
InChi:	InChI=1S/C20H24N4O2/c1-4-15-18(13(3)25)12(2)21-19(15)20-22-16-6-5-14(11-17(16)23-20)24-7-9-26-10-8-24/h5-6,11,21H,4,7-10H2,1-3H3,(H,22,23)
Definition date:	2021-04-06
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1~{H}-benzimidazol-2-yl)-1~{H}-pyrrol-3-yl]ethanone

36H

36H
Name:	2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol
Formula:	C25 H34 F N7 O
SMILES:	CC(C)n1cc(cn1)c2nc(Nc3ccc(N4CCC(CC4)N(C)CCO)c(F)c3)ncc2C
InChi:	InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)
Definition date:	2021-07-12
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	2-[[1-[2-fluoranyl-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-methyl-amino]ethanol

AI5

AI5
Name:	(2~{S})-4-[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{R},3~{R},4~{R},5~{R})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid
Formula:	C26 H39 N10 O12 P
SMILES:	N[CH](CCN(CCO[CH]1[CH](O)[CH](COP(O)O)O[CH]1N2C=CC(=NC2=O)N)CC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O
InChi:	InChI=1S/C26H39N10O12P/c27-12(25(40)41)1-4-34(5-2-13-17(37)19(39)23(47-13)36-11-32-16-21(29)30-10-31-22(16)36)7-8-45-20-18(38)14(9-46-49(43)44)48-24(20)35-6-3-15(28)33-26(35)42/h3,6,10-14,17-20,23-24,37-39,43-44H,1-2,4-5,7-9,27H2,(H,40,41)(H2,28,33,42)(H2,29,30,31)/t12-,13+,14+,17+,18+,19+,20+,23+,24+/m0/s1
Definition date:	2021-11-08
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	(2~{S})-4-[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{R},3~{R},4~{R},5~{R})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid

6ER

6ER
Name:	(S)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate
Formula:	C20 H41 N O8 P
SMILES:	CCCCCC(=O)OC[CH](CO[P]([OH-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
InChi:	InChI=1S/C20H41NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18,24H,6-17H2,1-5H3/t18-/m0/s1
Definition date:	2016-03-23
Last modified:	2022-03-25
Release date:	2022-03-30

90F

90F
Name:	~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
Formula:	C32 H36 Cl2 F N7 O3
SMILES:	CCC(=O)Nc1cc(cc(F)c1Nc2n[nH]c3ccc(O[CH](C)c4c(Cl)cncc4Cl)cc23)N5CCC(CC5)N6CCOCC6
InChi:	InChI=1S/C32H36Cl2FN7O3/c1-3-29(43)37-28-15-21(41-8-6-20(7-9-41)42-10-12-44-13-11-42)14-26(35)31(28)38-32-23-16-22(4-5-27(23)39-40-32)45-19(2)30-24(33)17-36-18-25(30)34/h4-5,14-20H,3,6-13H2,1-2H3,(H,37,43)(H2,38,39,40)/t19-/m1/s1
Definition date:	2021-12-28
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide

96I

96I
Name:	(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide
Formula:	C22 H25 N7 O
SMILES:	NC(=O)C(Nc1nc(c(C#N)c(CC)c1C#N)N1CCC(N)CC1)c1ccccc1
InChi:	InChI=1S/C22H25N7O/c1-2-16-17(12-23)21(27-19(20(26)30)14-6-4-3-5-7-14)28-22(18(16)13-24)29-10-8-15(25)9-11-29/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,30)(H,27,28)/t19-/m1/s1
Definition date:	2021-10-04
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide

C79

C79
Name:	(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide
Formula:	C23 H23 F3 N6 O S
SMILES:	FC(F)(F)c1ccc(cc1)C(Sc1nc(c(C#N)c(CC)c1C#N)N1CCC(N)CC1)C(N)=O
InChi:	InChI=1S/C23H23F3N6OS/c1-2-16-17(11-27)21(32-9-7-15(29)8-10-32)31-22(18(16)12-28)34-19(20(30)33)13-3-5-14(6-4-13)23(24,25)26/h3-6,15,19H,2,7-10,29H2,1H3,(H2,30,33)/t19-/m1/s1
Definition date:	2021-10-04
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide

CX0

CX0
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:	C10 H16 N6 O10 P2
SMILES:	Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2n1
InChi:	InChI=1S/C10H16N6O10P2/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,19,20,21)(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1
Definition date:	2019-05-24
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

CXC

CXC
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H17 N6 O13 P3
SMILES:	Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2n1
InChi:	InChI=1S/C10H17N6O13P3/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1
Definition date:	2019-05-24
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

CZC

CZC
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:	C10 H14 N4 O12 P2
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23
InChi:	InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
Synonyms:	xanthosine diphosphate
Definition date:	2019-05-24
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

CZU

CZU
Name:	[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H15 N4 O14 P3
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
InChi:	InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Synonyms:	Inosine-5'-triphosphate
Definition date:	2019-05-24
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

FUI

FUI
Name:	N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea
Formula:	C20 H21 Cl N4 O2
SMILES:	Clc1ccc(cc1)NC(=O)NC=1C(=O)N(c2ccccc2)N(C)C=1C(C)C
InChi:	InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)
Definition date:	2021-12-15
Last modified:	2022-03-25
Release date:	2022-03-30
Identifier:	N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea

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