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REH

REH
Name:	1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone
Formula:	C13 H14 F N O
SMILES:	CC(=O)N1CC2(CCC2)c3c(F)cccc13
InChi:	InChI=1S/C13H14FNO/c1-9(16)15-8-13(6-3-7-13)12-10(14)4-2-5-11(12)15/h2,4-5H,3,6-8H2,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone

RFO

RFO
Name:	1-(4-chloranylindol-1-yl)-2-methoxy-ethanone
Formula:	C11 H10 Cl N O2
SMILES:	COCC(=O)n1ccc2c(Cl)cccc12
InChi:	InChI=1S/C11H10ClNO2/c1-15-7-11(14)13-6-5-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-(4-chloranylindol-1-yl)-2-methoxy-ethanone

RG0

RG0
Name:	1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
Formula:	C11 H9 Cl F3 N O
SMILES:	CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F
InChi:	InChI=1S/C11H9ClF3NO/c1-6(17)16-5-4-7-9(16)3-2-8(12)10(7)11(13,14)15/h2-3H,4-5H2,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

RGO

RGO
Name:	(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one
Formula:	C11 H9 F2 N O
SMILES:	FC1(F)C[CH]2Cc3ccccc3N2C1=O
InChi:	InChI=1S/C11H9F2NO/c12-11(13)6-8-5-7-3-1-2-4-9(7)14(8)10(11)15/h1-4,8H,5-6H2/t8-/m0/s1
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one

RGU

RGU
Name:	(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one
Formula:	C11 H11 N O
SMILES:	O=C1CC[CH]2Cc3ccccc3N12
InChi:	InChI=1S/C11H11NO/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2/t9-/m1/s1
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one

RIQ

RIQ
Name:	1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone
Formula:	C10 H9 Cl2 N O
SMILES:	CC(=O)N1CCc2c(Cl)c(Cl)ccc12
InChi:	InChI=1S/C10H9Cl2NO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone

RIX

RIX
Name:	methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate
Formula:	C11 H8 Cl N O3
SMILES:	COC(=O)C(=O)n1ccc2c(Cl)cccc12
InChi:	InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)13-6-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate

RJ0

RJ0
Name:	1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
Formula:	C11 H11 N O
SMILES:	C=CC(=O)N1CCc2ccccc12
InChi:	InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-(2,3-dihydroindol-1-yl)prop-2-en-1-one

RL6

RL6
Name:	1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone
Formula:	C11 H9 Cl2 N O
SMILES:	CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12
InChi:	InChI=1S/C11H9Cl2NO/c1-6-3-4-9-10(11(6)13)8(12)5-14(9)7(2)15/h3-5H,1-2H3
Definition date:	2022-12-01
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone

8PD

8PD
Name:	(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid
Formula:	C20 H39 N O4
SMILES:	CCCCCCCCCCCCCCCC(=O)N[CH](CCO)C(O)=O
InChi:	InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1
Definition date:	2021-12-23
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid

SIQ

SIQ
Name:	methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Formula:	C22 H25 F2 N7 O3
SMILES:	FC(F)Oc1nc(cnc1N)c1cc(nc(c1)N1CC2CC1C2)N1CC2CC1CN2C(=O)OC
InChi:	InChI=1S/C22H25F2N7O3/c1-33-22(32)31-10-14-6-15(31)9-30(14)18-5-12(4-17(28-18)29-8-11-2-13(29)3-11)16-7-26-19(25)20(27-16)34-21(23)24/h4-5,7,11,13-15,21H,2-3,6,8-10H2,1H3,(H2,25,26)/t11-,13+,14-,15-/m0/s1
Definition date:	2022-07-05
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

SJU

SJU
Name:	(furan-2-yl)acetic acid
Formula:	C6 H6 O3
SMILES:	O=C(O)Cc1ccco1
InChi:	InChI=1S/C6H6O3/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
Definition date:	2022-07-06
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(furan-2-yl)acetic acid

AKQ

AKQ
Name:	(2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
Formula:	C17 H18 Cl N5 O2
SMILES:	C[CH]1C[CH](Nc2ncc(Cl)cn2)c3cc(ccc3N1C(C)=O)C(N)=O
InChi:	InChI=1S/C17H18ClN5O2/c1-9-5-14(22-17-20-7-12(18)8-21-17)13-6-11(16(19)25)3-4-15(13)23(9)10(2)24/h3-4,6-9,14H,5H2,1-2H3,(H2,19,25)(H,20,21,22)/t9-,14+/m0/s1
Synonyms:	(2S,4R)-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
Definition date:	2021-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(2~{S},4~{R})-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinoline-6-carboxamide

AUS

AUS
Name:	(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
Formula:	C14 H18 N2 O2
SMILES:	O=C(Nc1noc2CCCCc12)[CH]3CC34CCC4
InChi:	InChI=1S/C14H18N2O2/c17-13(10-8-14(10)6-3-7-14)15-12-9-4-1-2-5-11(9)18-16-12/h10H,1-8H2,(H,15,16,17)/t10-/m0/s1
Definition date:	2021-12-06
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide

TBW

TBW
Name:	3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C11 H12 N4 O3 S2
SMILES:	O=S(N)(=O)c1nnc(NC(=O)CCc2ccccc2)s1
InChi:	InChI=1S/C11H12N4O3S2/c12-20(17,18)11-15-14-10(19-11)13-9(16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,17,18)(H,13,14,16)
Definition date:	2022-07-21
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

TE3

TE3
Name:	2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
Formula:	C10 H16 N4 O3 S2
SMILES:	O=S(N)(=O)c1nnc(NC(=O)CC2CCCCC2)s1
InChi:	InChI=1S/C10H16N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,16,17)(H,12,13,15)
Definition date:	2022-07-21
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

7N6

7N6
Name:	(2R)-2-hydroxyhexanoic acid
Formula:	C6 H12 O3
SMILES:	CCCC[CH](O)C(O)=O
InChi:	InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
Definition date:	2016-11-23
Last modified:	2022-12-06
Release date:	2018-05-09
Identifier:	(2~{R})-2-oxidanylhexanoic acid

YBJ

YBJ
Name:	(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol
Formula:	C7 H15 N O3
SMILES:	CO[CH]1[CH](N)C[CH](O)O[CH]1C
InChi:	InChI=1S/C7H15NO3/c1-4-7(10-2)5(8)3-6(9)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5-,6?,7-/m0/s1
Synonyms:	L-actinosamine
Definition date:	2021-02-16
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol

YBM

YBM
Name:	[(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid
Formula:	C11 H18 N5 O5 P
SMILES:	O=P(O)(O)CCC(CO)NCc1c[NH]c2c(O)nc(N)nc21
InChi:	InChI=1S/C11H18N5O5P/c12-11-15-8-6(4-14-9(8)10(18)16-11)3-13-7(5-17)1-2-22(19,20)21/h4,7,13-14,17H,1-3,5H2,(H2,19,20,21)(H3,12,15,16,18)/t7-/m0/s1
Definition date:	2022-02-04
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	[(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid

KZR

KZR
Name:	N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Formula:	C23 H39 N5 O
SMILES:	CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1
InChi:	InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26)
Definition date:	2022-02-25
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

WFR

WFR
Name:	propan-2-yl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)
Formula:	C24 H30 N3 O9 P
SMILES:	CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OCC1OC(N2C=CC(=O)NC2=O)C(C)(C#C)C1O
InChi:	InChI=1S/C24H30N3O9P/c1-6-24(5)20(29)18(35-22(24)27-13-12-19(28)25-23(27)31)14-33-37(32,36-17-10-8-7-9-11-17)26-16(4)21(30)34-15(2)3/h1,7-13,15-16,18,20,22,29H,14H2,2-5H3,(H,26,32)(H,25,28,31)/t16-,18+,20+,22+,24+,37-/m0/s1
Definition date:	2022-09-06
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	propan-2-yl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)

WG6

WG6
Name:	Sofosbuvir
Formula:	C22 H29 F N3 O9 P
SMILES:	CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OCC1OC(N2C=CC(=O)NC2=O)C(C)(F)C1O
InChi:	InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1
Definition date:	2022-09-08
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	propan-2-yl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)

IUV

IUV
Name:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Formula:	C17 H17 F3 N2 O5
SMILES:	O[CH]1[CH](O)[CH](n2cc(CCc3ccc(cc3)C(F)(F)F)nc2[CH]1O)C(O)=O
InChi:	InChI=1S/C17H17F3N2O5/c18-17(19,20)9-4-1-8(2-5-9)3-6-10-7-22-11(16(26)27)12(23)13(24)14(25)15(22)21-10/h1-2,4-5,7,11-14,23-25H,3,6H2,(H,26,27)/t11-,12+,13-,14+/m0/s1
Definition date:	2022-07-19
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

IVO

IVO
Name:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Formula:	C8 H10 N2 O5
SMILES:	O[CH]1[CH](O)[CH](n2ccnc2[CH]1O)C(O)=O
InChi:	InChI=1S/C8H10N2O5/c11-4-3(8(14)15)10-2-1-9-7(10)6(13)5(4)12/h1-6,11-13H,(H,14,15)/t3-,4+,5-,6+/m0/s1
Definition date:	2022-07-20
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

IWB

IWB
Name:	methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate
Formula:	C25 H24 N2 O5
SMILES:	COC(=O)c1ccc(cc1)[CH]2N(CCc3c(C)[nH]c4ccccc34)C(=O)C(=C2C(C)=O)O
InChi:	InChI=1S/C25H24N2O5/c1-14-18(19-6-4-5-7-20(19)26-14)12-13-27-22(21(15(2)28)23(29)24(27)30)16-8-10-17(11-9-16)25(31)32-3/h4-11,22,26,29H,12-13H2,1-3H3/t22-/m1/s1
Definition date:	2022-07-21
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate

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