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6I4

6I4
Name:	8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole
Formula:	C15 H14 N2
SMILES:	Cc1ccc2c([nH]c3c(cccc23)C4CC4)n1
InChi:	InChI=1S/C15H14N2/c1-9-5-8-13-12-4-2-3-11(10-6-7-10)14(12)17-15(13)16-9/h2-5,8,10H,6-7H2,1H3,(H,16,17)
Definition date:	2021-09-13
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indole

NY9

NY9
Name:	N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea
Formula:	C23 H28 N4 O3
SMILES:	CCN(CC)c1ccc2c(c1)OC(=O)C(CCNC(=O)NCc1cccnc1)=C2C
InChi:	InChI=1S/C23H28N4O3/c1-4-27(5-2)18-8-9-19-16(3)20(22(28)30-21(19)13-18)10-12-25-23(29)26-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,25,26,29)
Definition date:	2021-08-17
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea

I0N

I0N
Name:	methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
Formula:	C24 H26 Cl N O4
SMILES:	COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(Cl)cc3
InChi:	InChI=1S/C24H26ClNO4/c1-30-23(29)21(27)15-22(28)24(16-18-7-9-20(25)10-8-18)11-13-26(14-12-24)17-19-5-3-2-4-6-19/h2-10,15,27H,11-14,16-17H2,1H3/b21-15-
Definition date:	2021-12-28
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	methyl (~{Z})-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate

V8K

V8K
Name:	Dolichylphosphate
Formula:	C55 H91 O4 P
SMILES:	C[CH](CCO[P](O)(O)=O)CCC=C(C)C=CC=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/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h21,23,25,27,29,31,33,35,37,39-41,55H,13-20,22,24,26,28,30,32,34,36,38,42-44H2,1-12H3,(H2,56,57,58)/b40-21+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+/t55-/m1/s1
Definition date:	2021-04-29
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	[(3~{R},6~{E},8~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,8,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate

0BF

0BF
Name:	8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Formula:	C24 H23 Cl N2 O3 S
SMILES:	ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4cccc5ccccc45
InChi:	InChI=1S/C24H23ClN2O3S/c25-14-22(28)26-12-10-24(11-13-26)27(23(29)16-31-24)15-18-8-9-21(30-18)20-7-3-5-17-4-1-2-6-19(17)20/h1-9H,10-16H2
Definition date:	2021-06-08
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

JE0

JE0
Name:	(5S)-5-[(1R)-1-(4-chloranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
Formula:	C14 H14 Cl N3 O2
SMILES:	CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(Cl)c23
InChi:	InChI=1S/C14H14ClN3O2/c1-7(12-13(19)18-14(16-2)20-12)8-6-17-10-5-3-4-9(15)11(8)10/h3-7,12,17H,1-2H3,(H,16,18,19)/t7-,12+/m1/s1
Definition date:	2021-05-21
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	(5~{S})-5-[(1~{R})-1-(4-chloranyl-1~{H}-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one

JE3

JE3
Name:	(5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
Formula:	C14 H14 F N3 O2
SMILES:	CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(F)c23
InChi:	InChI=1S/C14H14FN3O2/c1-7(12-13(19)18-14(16-2)20-12)8-6-17-10-5-3-4-9(15)11(8)10/h3-7,12,17H,1-2H3,(H,16,18,19)/t7-,12+/m1/s1
Definition date:	2021-05-21
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	(5~{S})-5-[(1~{R})-1-(4-fluoranyl-1~{H}-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one

JE9

JE9
Name:	3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate
Formula:	C27 H26 F N5 O5
SMILES:	CN(C)C(=O)Oc1ccn2c(cc(C(=O)Nc3cc(CO)cc(c3F)c4cnn(c4)C5CC5)c2c1)C(C)=O
InChi:	InChI=1S/C27H26FN5O5/c1-15(35)23-11-21(24-10-19(6-7-32(23)24)38-27(37)31(2)3)26(36)30-22-9-16(14-34)8-20(25(22)28)17-12-29-33(13-17)18-4-5-18/h6-13,18,34H,4-5,14H2,1-3H3,(H,30,36)
Definition date:	2021-05-26
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	[1-[[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-(hydroxymethyl)phenyl]carbamoyl]-3-ethanoyl-indolizin-7-yl] ~{N},~{N}-dimethylcarbamate

VTY

VTY
Name:	(5S)-5-hydroxy-3-methylfuran-2(5H)-one
Formula:	C5 H6 O3
SMILES:	CC1=CC(OC1=O)O
InChi:	InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m0/s1
Definition date:	2020-09-14
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	(5S)-5-hydroxy-3-methylfuran-2(5H)-one

7DI

7DI
Name:	PF-07321332, bound form
Formula:	C23 H36 F3 N5 O4
SMILES:	CCNC(=O)CC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C)C=N
InChi:	InChI=1S/C23H36F3N5O4/c1-7-28-14(32)9-8-12(10-27)29-18(33)16-15-13(22(15,5)6)11-31(16)19(34)17(21(2,3)4)30-20(35)23(24,25)26/h10,12-13,15-17,27H,7-9,11H2,1-6H3,(H,28,32)(H,29,33)(H,30,35)/b27-10+/t12-,13-,15-,16-,17+/m0/s1
Definition date:	2021-09-28
Last modified:	2022-02-08
Release date:	2021-11-03
Identifier:	(1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-azanylidene-5-(ethylamino)-5-oxidanylidene-pentan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

BAM

BAM
Name:	BENZAMIDINE
Formula:	C7 H9 N2
SMILES:	[NH2+]=C(/N)c1ccccc1
InChi:	InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
Definition date:	1999-09-10
Last modified:	2022-02-08
Identifier:	amino(phenyl)methaniminium

9I7

9I7
Name:	(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C23 H34 F3 N5 O4
SMILES:	CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C23H34F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h9,11-16,27H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/b27-9-/t11-,12-,13-,14-,15-,16+/m0/s1
Definition date:	2021-10-13
Last modified:	2022-02-08
Release date:	2021-10-20
Identifier:	(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

TNY

TNY
Name:	(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name)
Formula:	C12 H22 N2 O8
SMILES:	O=C(O)C(N)C(OC1OC(C(O)C(O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C12H22N2O8/c1-4(7(13)11(19)20)21-12-8(14-5(2)16)10(18)9(17)6(3-15)22-12/h4,6-10,12,15,17-18H,3,13H2,1-2H3,(H,14,16)(H,19,20)/t4-,6-,7+,8-,9+,10-,12+/m1/s1
Definition date:	2009-07-25
Last modified:	2022-02-08
Identifier:	(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name)

ZJ4

ZJ4
Name:	5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
Formula:	C13 H12 O2 S
SMILES:	OC(=O)c1ccc(s1)c1c(C)cccc1C
InChi:	InChI=1S/C13H12O2S/c1-8-4-3-5-9(2)12(8)10-6-7-11(16-10)13(14)15/h3-7H,1-2H3,(H,14,15)
Definition date:	2021-04-29
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid

ZJ7

ZJ7
Name:	5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid
Formula:	C14 H14 O2 S
SMILES:	OC(=O)c1ccc(s1)c1c(C)cc(C)cc1C
InChi:	InChI=1S/C14H14O2S/c1-8-6-9(2)13(10(3)7-8)11-4-5-12(17-11)14(15)16/h4-7H,1-3H3,(H,15,16)
Definition date:	2021-04-29
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid

ZJA

ZJA
Name:	5-(2-methylphenyl)thiophene-2-carboxylic acid
Formula:	C12 H10 O2 S
SMILES:	OC(=O)c1ccc(s1)c1ccccc1C
InChi:	InChI=1S/C12H10O2S/c1-8-4-2-3-5-9(8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
Definition date:	2021-04-29
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	5-(2-methylphenyl)thiophene-2-carboxylic acid

ZJD

ZJD
Name:	5-(2-ethylphenyl)thiophene-2-carboxylic acid
Formula:	C13 H12 O2 S
SMILES:	OC(=O)c1ccc(s1)c1ccccc1CC
InChi:	InChI=1S/C13H12O2S/c1-2-9-5-3-4-6-10(9)11-7-8-12(16-11)13(14)15/h3-8H,2H2,1H3,(H,14,15)
Definition date:	2021-04-29
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	5-(2-ethylphenyl)thiophene-2-carboxylic acid

Y5V

Y5V
Name:	5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Formula:	C21 H21 N3 O5
SMILES:	c1ccc(c(c1)C2=NC(=C(C(N2)=O)O)C(NCCc3cc(c(cc3)O)OC)=O)C
InChi:	InChI=1S/C21H21N3O5/c1-12-5-3-4-6-14(12)19-23-17(18(26)21(28)24-19)20(27)22-10-9-13-7-8-15(25)16(11-13)29-2/h3-8,11,25-26H,9-10H2,1-2H3,(H,22,27)(H,23,24,28)
Definition date:	2021-02-05
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide

XQP

XQP
Name:	(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
Formula:	C20 H22 N6 O10 S
SMILES:	C(O)(C(NC(=O)C(C(=O)O)c1ccc(cc1)O)(C2OCC(=C(C(O)=O)N2)CSc3n(C)nnn3)OC)=O
InChi:	InChI=1S/C20H22N6O10S/c1-26-19(23-24-25-26)37-8-10-7-36-17(21-13(10)16(31)32)20(35-2,18(33)34)22-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,17,21,27H,7-8H2,1-2H3,(H,22,28)(H,29,30)(H,31,32)(H,33,34)/t12-,17-,20-/m1/s1
Definition date:	2021-01-04
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid

XSA

XSA
Name:	(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid
Formula:	C6 H15 B N2 O4
SMILES:	C(C(O)=O)(NCCN)CCB(O)O
InChi:	InChI=1S/C6H15BN2O4/c8-3-4-9-5(6(10)11)1-2-7(12)13/h5,9,12-13H,1-4,8H2,(H,10,11)/t5-/m1/s1
Definition date:	2021-01-08
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid

Y9Y

Y9Y
Name:	paranitrophenyl-alpha-L-galactopyranoside
Formula:	C12 H15 N O8
SMILES:	OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m0/s1
Synonyms:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
Definition date:	2021-02-12
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol

5Z9

5Z9
Name:	(2R)-2-methyl-2-oxidanyl-butanenitrile
Formula:	C5 H9 N O
SMILES:	CC[C](C)(O)C#N
InChi:	InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1
Definition date:	2021-09-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2~{R})-2-methyl-2-oxidanyl-butanenitrile

GHU

GHU
Name:	ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate
Formula:	C20 H28 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)OCC
InChi:	InChI=1S/C20H28N4O4/c1-3-15-18(19(21)24-20(22)23-15)28-13-7-12-27-16-9-6-5-8-14(16)10-11-17(25)26-4-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H4,21,22,23,24)
Definition date:	2021-12-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate

GI6

GI6
Name:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide
Formula:	C19 H27 N5 O3
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(N)=O
InChi:	InChI=1S/C19H27N5O3/c1-3-14-16(17(20)24-19(22)23-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(21)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H2,21,25)(H4,20,22,23,24)/t12-/m1/s1
Definition date:	2021-12-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide

GQO

GQO
Name:	2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide
Formula:	C19 H29 N5 O4 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)N(C)C
InChi:	InChI=1S/C19H29N5O4S/c1-4-15-17(18(20)23-19(21)22-15)28-12-7-11-27-16-9-6-5-8-14(16)10-13-29(25,26)24(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H4,20,21,22,23)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide

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