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OS0

OS0
Name:	4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one
Formula:	C4 H6 N2 O2
SMILES:	O[CH]1NC(=O)NC=C1
InChi:	InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)
Definition date:	2023-02-10
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	4-oxidanyl-3,4-dihydro-1~{H}-pyrimidin-2-one

Q30

Q30
Name:	3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Formula:	C23 H34 O5
SMILES:	C[C]12CC[CH](O)C[C]1(O)CC[CH]3[CH]2CC[C]4(C)[CH](CC[C]34O)C5=CC(=O)OC5
InChi:	InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16+,17-,18-,20+,21+,22-,23-/m0/s1
Definition date:	2023-03-15
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	3-[(3~{S},5~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2~{H}-furan-5-one

S9F

S9F
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H17 N5 O14 P3
SMILES:	NC1=NC(=O)[N-]2=C(N1)N(C=C2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C10H17N5O14P3/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-6(17)5(16)4(27-7)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,4-7,16-17H,3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,12,13,18)/q-1/t4-,5-,6-,7-/m1/s1
Definition date:	2023-08-24
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3,5,7-triaza-1-azanuidabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

TL0

TL0
Name:	2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate
Formula:	C33 H43 F N6 O4 S
SMILES:	CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1c3cn(CC4CCN(CCN[S](=O)(=O)c5ccc(CC(C)C)cc5)CC4)nn3
InChi:	InChI=1S/C33H43FN6O4S/c1-22(2)17-24-5-8-27(9-6-24)45(42,43)35-13-16-39-14-11-25(12-15-39)19-40-20-30(37-38-40)31-28-18-26(34)7-10-29(28)36-32(31)33(41)44-21-23(3)4/h5-10,18,20,22-23,25,35-36H,11-17,19,21H2,1-4H3
Definition date:	2023-01-11
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate

HIR

HIR
Name:	methyliridium(III) mesoporphyrin
Formula:	C35 H33 Ir N4 O5
SMILES:	O=C(O)CCC=1C2=Cc3c(CCC(=O)O)c(C)c4C=C5C(C)=C(C=C)C=6C=C7C(C)=C(C=C)C8=CC(C=1C)=N2[Ir](C=O)(n43)(N5=6)N78
InChi:	InChI=1S/C34H34N4O4.CHO.Ir/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:	2022-04-14
Last modified:	2024-01-19
Release date:	2023-02-22
Identifier:	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](formyl)iridium

A1AA6

A1AA6
Name:	ethyl (3-chlorophenyl)carbamate
Formula:	C9 H10 Cl N O2
SMILES:	Clc1cc(NC(=O)OCC)ccc1
InChi:	InChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12)
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	ethyl (3-chlorophenyl)carbamate

A1AA8

A1AA8
Name:	2-(methylsulfanyl)pyridine-3-carboxamide
Formula:	C7 H8 N2 O S
SMILES:	CSc1ncccc1C(N)=O
InChi:	InChI=1S/C7H8N2OS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10)
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	2-(methylsulfanyl)pyridine-3-carboxamide

A1ABA

A1ABA
Name:	[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol
Formula:	C12 H14 F3 N O2
SMILES:	FC(F)(F)c1cc(CO)c(cc1)N1CCOCC1
InChi:	InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol

A1ABB

A1ABB
Name:	(5P)-5-(furan-2-yl)thiophene-2-carboxylic acid
Formula:	C9 H6 O3 S
SMILES:	OC(=O)c1ccc(s1)c1occc1
InChi:	InChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(5P)-5-(furan-2-yl)thiophene-2-carboxylic acid

A1ABE

A1ABE
Name:	(3M)-3-(furan-2-yl)benzoic acid
Formula:	C11 H8 O3
SMILES:	O=C(O)c1cccc(c1)c1ccco1
InChi:	InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(3M)-3-(furan-2-yl)benzoic acid

A1ABF

A1ABF
Name:	4-[(pyridin-2-yl)oxy]benzonitrile
Formula:	C12 H8 N2 O
SMILES:	N#Cc1ccc(cc1)Oc1ccccn1
InChi:	InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	4-[(pyridin-2-yl)oxy]benzonitrile

A1ABQ

A1ABQ
Name:	(5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
Formula:	C10 H11 F N2 S
SMILES:	CC1CN=C(Nc2ccc(F)cc2)S1
InChi:	InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

A1ABR

A1ABR
Name:	(3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile
Formula:	C10 H7 N O2
SMILES:	O=C1c2ccccc2OCC1C#N
InChi:	InChI=1S/C10H7NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,7H,6H2/t7-/m1/s1
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile

A1ABU

A1ABU
Name:	1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Formula:	C13 H17 N3 O
SMILES:	O=C1NCN(c2ccccc2)C21CCNCC2
InChi:	InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

A1ABV

A1ABV
Name:	(4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione
Formula:	C11 H15 N O3 S
SMILES:	CC(C)N1CC(O)c2ccccc2S1(=O)=O
InChi:	InChI=1S/C11H15NO3S/c1-8(2)12-7-10(13)9-5-3-4-6-11(9)16(12,14)15/h3-6,8,10,13H,7H2,1-2H3/t10-/m1/s1
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione

A1ABY

A1ABY
Name:	1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one
Formula:	C15 H20 N2 O3
SMILES:	CC(=O)N1CC(Oc2ccccn2)C2CC1CCC2O
InChi:	InChI=1S/C15H20N2O3/c1-10(18)17-9-14(20-15-4-2-3-7-16-15)12-8-11(17)5-6-13(12)19/h2-4,7,11-14,19H,5-6,8-9H2,1H3/t11-,12-,13+,14-/m0/s1
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one

A1ACE

A1ACE
Name:	(4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Formula:	C35 H39 N O6
SMILES:	Nc1cccc(c1)Cc1ccc(cc1)C1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO
InChi:	InChI=1S/C35H39NO6/c1-33-13-12-25(38)16-23(33)10-11-26-27-17-30-35(29(40)19-37,34(27,2)18-28(39)31(26)33)42-32(41-30)22-8-6-20(7-9-22)14-21-4-3-5-24(36)15-21/h3-9,12-13,15-16,26-28,30-32,37,39H,10-11,14,17-19,36H2,1-2H3/t26-,27-,28+,30+,31+,32+,33-,34-,35+/m0/s1
Definition date:	2024-01-11
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one

A1ACJ

A1ACJ
Name:	(2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Formula:	C17 H15 Br N4 O6
SMILES:	O=C(Nc1conc1)C=1N=C(c2cccc(Br)c2OCCO)N(C)C(=O)C=1O
InChi:	InChI=1S/C17H15BrN4O6/c1-22-15(10-3-2-4-11(18)14(10)27-6-5-23)21-12(13(24)17(22)26)16(25)20-9-7-19-28-8-9/h2-4,7-8,23-24H,5-6H2,1H3,(H,20,25)
Definition date:	2024-01-12
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide

A1LWV

A1LWV
Name:	(2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid
Formula:	C11 H20 N2 O4
SMILES:	N[CH](CCCCNC(=O)CCCC=O)C(O)=O
InChi:	InChI=1S/C11H20N2O4/c12-9(11(16)17)5-1-3-7-13-10(15)6-2-4-8-14/h8-9H,1-7,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
Definition date:	2024-01-18
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid

IJ5

IJ5
Name:	(2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile
Formula:	C8 H6 Cl N O
SMILES:	O[CH](C#N)c1ccccc1Cl
InChi:	InChI=1S/C8H6ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H/t8-/m0/s1
Synonyms:	(R)-2-chloromandelonitrile
Definition date:	2022-07-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile

QH0

QH0
Name:	(phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-nitro-1-[(3R)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C22 H32 N4 O6
SMILES:	CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC[N+]([O-])=O)C[CH]2CCNC2=O
InChi:	InChI=1S/C22H32N4O6/c1-15(2)12-19(25-22(29)32-14-16-6-4-3-5-7-16)21(28)24-18(9-11-26(30)31)13-17-8-10-23-20(17)27/h3-7,15,17-19H,8-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17-,18-,19+/m1/s1
Definition date:	2022-10-31
Last modified:	2024-01-16
Release date:	2023-11-08
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

QH9

QH9
Name:	5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide
Formula:	C27 H21 N5 O2
SMILES:	COc1cc2ccncc2cc1c3c[nH]c4ncc(cc34)c5cncc(c5)C(=O)N(C)CC#C
InChi:	InChI=1S/C27H21N5O2/c1-4-7-32(2)27(33)21-8-18(13-29-14-21)20-10-23-24(16-31-26(23)30-15-20)22-9-19-12-28-6-5-17(19)11-25(22)34-3/h1,5-6,8-16H,7H2,2-3H3,(H,30,31)
Definition date:	2022-10-31
Last modified:	2024-01-16
Release date:	2023-03-22
Identifier:	5-[3-(6-methoxyisoquinolin-7-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N}-methyl-~{N}-prop-2-ynyl-pyridine-3-carboxamide

QHR

QHR
Name:	7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
Formula:	C37 H32 N4 O4
SMILES:	Cn1nc(COc2ccc3ccncc3c2)c(c1C)c4cccc5c(CCCOc6cccc7ccccc67)c([nH]c45)C(O)=O
InChi:	InChI=1S/C37H32N4O4/c1-23-34(32(40-41(23)2)22-45-27-16-15-24-17-18-38-21-26(24)20-27)31-12-6-11-29-30(36(37(42)43)39-35(29)31)13-7-19-44-33-14-5-9-25-8-3-4-10-28(25)33/h3-6,8-12,14-18,20-21,39H,7,13,19,22H2,1-2H3,(H,42,43)
Definition date:	2022-11-01
Last modified:	2024-01-16
Release date:	2023-02-22
Identifier:	7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid

QIY

QIY
Name:	(2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C50 H63 Cl2 N9 O9 S
SMILES:	CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)N[CH](CC(=O)NCCOCCOCCOCCNC(=O)C[CH]2[NH2]=C(c3ccc(Cl)cc3)c4c(C)c(C)sc4n5c(C)nnc25)c6ccc(Cl)cc6)c7onc(C)c7
InChi:	InChI=1S/C50H63Cl2N9O9S/c1-28(2)44(41-23-29(3)59-70-41)49(66)60-27-37(62)24-40(60)48(65)56-38(33-7-11-35(51)12-8-33)25-42(63)53-15-17-67-19-21-69-22-20-68-18-16-54-43(64)26-39-47-58-57-32(6)61(47)50-45(30(4)31(5)71-50)46(55-39)34-9-13-36(52)14-10-34/h7-14,23,28,37-40,44,62H,15-22,24-27,55H2,1-6H3,(H,53,63)(H,54,64)(H,56,65)/t37-,38+,39+,40+,44-/m1/s1
Definition date:	2022-11-02
Last modified:	2024-01-16
Release date:	2023-02-15
Identifier:	(2~{S},4~{R})-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

RBH

RBH
Name:	~{N}-[(2~{S},3~{S},4~{S},5~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]-2-oxidanyl-ethanamide
Formula:	C14 H27 N4 O9
SMILES:	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(=O)COCCOCCOCCN=[N+]=N
InChi:	InChI=1S/C14H26N4O9/c15-18-16-1-2-24-3-4-25-5-6-26-8-10(20)17-11-9(7-19)27-14(23)13(22)12(11)21/h9,11-15,19,21-23H,1-8H2/p+1/t9-,11-,12+,13-,14-/m1/s1
Definition date:	2022-11-28
Last modified:	2024-01-14
Release date:	2023-11-29
Identifier:	azanylidene-[2-[2-[2-[2-[[(2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethylimino]azanium

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