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OU3

OU3
Name:	3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one
Formula:	C19 H19 F N2 O4
SMILES:	CC(C)CC1=Nc2cc(O)c(O)c(O)c2C(=O)N1c3ccc(F)c(C)c3
InChi:	InChI=1S/C19H19FN2O4/c1-9(2)6-15-21-13-8-14(23)17(24)18(25)16(13)19(26)22(15)11-4-5-12(20)10(3)7-11/h4-5,7-9,23-25H,6H2,1-3H3
Definition date:	2023-02-10
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one

U4C

U4C
Name:	(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
Formula:	C12 H14 N2 O
SMILES:	O=C1Nc2ccccc2CC21CCCN2
InChi:	InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m0/s1
Definition date:	2023-08-29
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one

SW9

SW9
Name:	4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione
Formula:	C10 H17 N O2 S
SMILES:	O=S1(=O)CCC(CC1)N(C)C=C=CC
InChi:	InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione

XKE

XKE
Name:	(1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol
Formula:	C32 H40 N4 O
SMILES:	C=C(c1ccccc1)C12CCC(O)C2CC(CCCCCCCCCc2nnn[NH]2)=C1c1ccccc1
InChi:	InChI=1S/C32H40N4O/c1-24(25-15-10-7-11-16-25)32-22-21-29(37)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30-33-35-36-34-30/h7-8,10-13,15-18,28-29,37H,1-6,9,14,19-23H2,(H,33,34,35,36)/t28-,29+,32-/m0/s1
Definition date:	2022-11-23
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(1R,3aR,6aR)-4-phenyl-3a-(1-phenylethenyl)-5-[9-(1H-tetrazol-5-yl)nonyl]-1,2,3,3a,6,6a-hexahydropentalen-1-ol (non-preferred name)

U4Z

U4Z
Name:	gamma-Carotene
Formula:	C40 H56
SMILES:	CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
InChi:	InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
Synonyms:	2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene
Definition date:	2023-05-15
Last modified:	2023-11-24
Release date:	2023-11-22
Identifier:	2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene

QWF

QWF
Name:	(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid
Formula:	C47 H71 N9 O16
SMILES:	OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](CC=Cc1ccccc1)NC(=O)[CH]2CC[CH](CC2)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(O)=O)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C47H71N9O16/c57-38(28-53-19-21-54(29-40(60)61)23-25-56(31-42(64)65)26-24-55(22-20-53)30-41(62)63)49-27-33-12-14-34(15-13-33)43(66)50-35(11-6-9-32-7-2-1-3-8-32)44(67)48-18-5-4-10-36(45(68)69)51-47(72)52-37(46(70)71)16-17-39(58)59/h1-3,6-9,33-37H,4-5,10-31H2,(H,48,67)(H,49,57)(H,50,66)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H2,51,52,72)/b9-6+/t33-,34-,35-,36-,37-/m0/s1
Definition date:	2022-11-15
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid

SX9

SX9
Name:	1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one
Formula:	C15 H20 N2 O
SMILES:	O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1
InChi:	InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one

SY3

SY3
Name:	N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide
Formula:	C13 H11 F N2 O
SMILES:	O=C(Nc1cc(F)ccc1C)c1ccncc1
InChi:	InChI=1S/C13H11FN2O/c1-9-2-3-11(14)8-12(9)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide

UYX

UYX
Name:	3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione
Formula:	C22 H22 F N3 O3
SMILES:	Fc1ccc(cc1)C(=O)C2CCN(CC2)CCN3C(=O)Nc4ccccc4C3=O
InChi:	InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
Definition date:	2023-06-27
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione

SYX

SYX
Name:	(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone
Formula:	C10 H18 N2 O2
SMILES:	O=C(N1CCN(C)CC1)C1CCCO1
InChi:	InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone

QYF

QYF
Name:	(2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
Formula:	C49 H69 N9 O16
SMILES:	OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)[CH]3CC[CH](CC3)CNC(=O)CN4CCN(CCN(CCN(CC(O)=O)C=C4)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C49H69N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,17,19,25,32,35,37-39H,3-4,7-9,12-16,18,20-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/b19-17-/t32-,35-,37-,38-,39-/m0/s1
Definition date:	2022-11-16
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid

SZX

SZX
Name:	(2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide
Formula:	C10 H12 N2 O3
SMILES:	O=C(Nc1ccccn1)C1COCCO1
InChi:	InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide

T0O

T0O
Name:	5-chloro-1H-imidazole
Formula:	C3 H3 Cl N2
SMILES:	Clc1cnc[NH]1
InChi:	InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	5-chloro-1H-imidazole

U9R

U9R
Name:	(2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name)
Formula:	C8 H11 N3 O2 S
SMILES:	O=C(Nc1cnns1)C1OCCC1C
InChi:	InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7+/m1/s1
Definition date:	2023-08-31
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name)

T1U

T1U
Name:	(1-methyl-1H-benzimidazol-2-yl)methanol
Formula:	C9 H10 N2 O
SMILES:	OCc1nc2ccccc2n1C
InChi:	InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(1-methyl-1H-benzimidazol-2-yl)methanol

UO6

UO6
Name:	4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid
Formula:	C14 H14 N3 O12 P S2
SMILES:	Cc1nc(N=Nc2ccc(cc2[S](O)(=O)=O)[S](O)(=O)=O)c(CO[P](O)(O)=O)c(C=O)c1O
InChi:	InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+
Synonyms:	Ppads
Definition date:	2023-06-10
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-[(~{E})-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid

T2U

T2U
Name:	2-chloro-1,3-benzoxazole
Formula:	C7 H4 Cl N O
SMILES:	Clc1nc2ccccc2o1
InChi:	InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-chloro-1,3-benzoxazole

T4R

T4R
Name:	5-iodo-1H-pyrazole
Formula:	C3 H3 I N2
SMILES:	Ic1ccn[NH]1
InChi:	InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	5-iodo-1H-pyrazole

VLF

VLF
Name:	4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide
Formula:	C17 H19 N O4 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CO
InChi:	InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)18-16(17(20)12-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1
Definition date:	2023-03-15
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide

V5L

V5L
Name:	1-(4-methoxyphenyl)-1,2,3,4-tetrazole
Formula:	C8 H8 N4 O
SMILES:	COc1ccc(cc1)n2cnnn2
InChi:	InChI=1S/C8H8N4O/c1-13-8-4-2-7(3-5-8)12-6-9-10-11-12/h2-6H,1H3
Definition date:	2023-07-07
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-(4-methoxyphenyl)-1,2,3,4-tetrazole

R4U

R4U
Name:	~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Formula:	C11 H16 N6
SMILES:	Nc1nc(NC2CCCCC2)c3c[nH]nc3n1
InChi:	InChI=1S/C11H16N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17)
Definition date:	2022-11-23
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine

V6C

V6C
Name:	1-(3-methoxyphenyl)-1,2,3,4-tetrazole
Formula:	C8 H8 N4 O
SMILES:	COc1cccc(c1)n2cnnn2
InChi:	InChI=1S/C8H8N4O/c1-13-8-4-2-3-7(5-8)12-6-9-10-11-12/h2-6H,1H3
Definition date:	2023-07-07
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-(3-methoxyphenyl)-1,2,3,4-tetrazole

T7L

T7L
Name:	2-phenyl-1,3-thiazole-5-carboxylic acid
Formula:	C10 H7 N O2 S
SMILES:	O=C(O)c1cnc(s1)c1ccccc1
InChi:	InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-phenyl-1,3-thiazole-5-carboxylic acid

T63

T63
Name:	2-phenylpyrimidin-5-ol
Formula:	C10 H8 N2 O
SMILES:	Oc1cnc(nc1)c1ccccc1
InChi:	InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-phenylpyrimidin-5-ol

T7U

T7U
Name:	N-cyclopropyl-2-hydroxybenzamide
Formula:	C10 H11 N O2
SMILES:	O=C(NC1CC1)c1ccccc1O
InChi:	InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	N-cyclopropyl-2-hydroxybenzamide

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