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TWE

TWE
Name:	1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile
Formula:	C14 H14 N2 O2
SMILES:	O=Cc1ccc(cc1)C(=O)N2CCC(CC2)C#N
InChi:	InChI=1S/C14H14N2O2/c15-9-11-5-7-16(8-6-11)14(18)13-3-1-12(10-17)2-4-13/h1-4,10-11H,5-8H2
Definition date:	2021-01-14
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile

HJF

HJF
Name:	5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine
Formula:	C19 H22 N4 O3
SMILES:	COc1cc(ccn1)c2cnn3cc(OC)c(nc23)[CH]4COC(C)(C)C4
InChi:	InChI=1S/C19H22N4O3/c1-19(2)8-13(11-26-19)17-15(24-3)10-23-18(22-17)14(9-21-23)12-5-6-20-16(7-12)25-4/h5-7,9-10,13H,8,11H2,1-4H3/t13-/m1/s1
Definition date:	2021-01-14
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	5-[(3~{S})-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine

U9E

U9E
Name:	3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid
Formula:	C21 H17 Cl N2 O2
SMILES:	CCc1c([nH]c(C(O)=O)c1c2ccccc2Cl)c3cccc4[nH]ccc34
InChi:	InChI=1S/C21H17ClN2O2/c1-2-12-18(15-6-3-4-8-16(15)22)20(21(25)26)24-19(12)14-7-5-9-17-13(14)10-11-23-17/h3-11,23-24H,2H2,1H3,(H,25,26)
Definition date:	2021-02-04
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid

UFH

UFH
Name:	2-bromanyl-4-imidazol-1-yl-benzaldehyde
Formula:	C10 H7 Br N2 O
SMILES:	Brc1cc(ccc1C=O)n2ccnc2
InChi:	InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
Definition date:	2021-02-12
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-bromanyl-4-imidazol-1-yl-benzaldehyde

UG5

UG5
Name:	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
Formula:	C11 H7 F3 N2 O
SMILES:	FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2
InChi:	InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H
Definition date:	2021-02-16
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde

UPK

UPK
Name:	2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol
Formula:	C16 H12 N2 O2
SMILES:	Oc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H12N2O2/c19-11-13-6-7-14(10-15(13)20)18-9-8-17-16(18)12-4-2-1-3-5-12/h1-11,20H
Definition date:	2021-03-04
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-oxidanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

UPQ

UPQ
Name:	4-(4-methylimidazol-1-yl)benzaldehyde
Formula:	C11 H10 N2 O
SMILES:	Cc1cn(cn1)c2ccc(C=O)cc2
InChi:	InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3
Definition date:	2021-03-04
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-(4-methylimidazol-1-yl)benzaldehyde

UQW

UQW
Name:	[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
Formula:	C17 H20 N2 O3
SMILES:	CC[CH](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12
InChi:	InChI=1S/C17H20N2O3/c1-3-15(22-16(20)4-2)17(21)18-10-9-12-11-19-14-8-6-5-7-13(12)14/h4-8,11,15,19H,2-3,9-10H2,1H3,(H,18,21)/t15-/m1/s1
Synonyms:	[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
Definition date:	2021-03-09
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate

UQZ

UQZ
Name:	~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide
Formula:	C22 H24 N2 O5
SMILES:	CCCN([CH](C(=O)NCc1ccc2OCOc2c1)c3cccc(O)c3)C(=O)C=C
InChi:	InChI=1S/C22H24N2O5/c1-3-10-24(20(26)4-2)21(16-6-5-7-17(25)12-16)22(27)23-13-15-8-9-18-19(11-15)29-14-28-18/h4-9,11-12,21,25H,2-3,10,13-14H2,1H3,(H,23,27)/t21-/m0/s1
Definition date:	2021-03-09
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide

URK

URK
Name:	[(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
Formula:	C20 H20 N2 O7
SMILES:	COc1cccc(CNC(=O)[CH](OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC
InChi:	InChI=1S/C20H20N2O7/c1-4-17(23)29-19(13-8-10-15(11-9-13)22(25)26)20(24)21-12-14-6-5-7-16(27-2)18(14)28-3/h4-11,19H,1,12H2,2-3H3,(H,21,24)/t19-/m0/s1
Synonyms:	[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
Definition date:	2021-03-10
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate

US8

US8
Name:	2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Formula:	C16 H16 N2 O2 S
SMILES:	CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3
InChi:	InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)
Synonyms:	2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Definition date:	2021-03-10
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide

USH

USH
Name:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
Formula:	C14 H19 Cl N2 O3
SMILES:	CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
InChi:	InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
Definition date:	2021-03-12
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide

V5Z

V5Z
Name:	DMHBO+
Formula:	C22 H25 N4 O5
SMILES:	COc1cc(cc(OC)c1O)C=C2N=C(C=NO)N(C2=O)c3ccc(cc3)[N+](C)(C)C
InChi:	InChI=1S/C22H24N4O5/c1-26(2,3)16-8-6-15(7-9-16)25-20(13-23-29)24-17(22(25)28)10-14-11-18(30-4)21(27)19(12-14)31-5/h6-13H,1-5H3,(H-,23,24,27,28,29)/p+1
Synonyms:	[4-[(4Z)-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-[(Z)-hydroxyiminomethyl]-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium
Definition date:	2021-04-19
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[4-[(4~{Z})-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-[(~{Z})-hydroxyiminomethyl]-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium

V6T

V6T
Name:	DMHBI+
Formula:	C22 H26 N3 O4
SMILES:	COc1cc(cc(OC)c1O)C=C2N=C(C)N(C2=O)c3ccc(cc3)[N+](C)(C)C
InChi:	InChI=1S/C22H25N3O4/c1-14-23-18(11-15-12-19(28-5)21(26)20(13-15)29-6)22(27)24(14)16-7-9-17(10-8-16)25(2,3)4/h7-13H,1-6H3/p+1
Synonyms:	5-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-2-methyl-3-[4-(trimethyl-$l^{4}-azanyl)phenyl]-2~{H}-imidazol-4-one
Definition date:	2021-04-20
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[4-[(4~{Z})-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium

ZO4

ZO4
Name:	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine
Formula:	C24 H30 Cl N3 O5
SMILES:	C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2OCC(O)C(O)C2O)c(Cl)cc1
InChi:	InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(29)12-33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21-,22-/m1/s1
Definition date:	2021-05-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine

ZO7

ZO7
Name:	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine
Formula:	C24 H30 Cl N3 O5
SMILES:	C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2OCC(O)C(O)C2O)c(Cl)cc1
InChi:	InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(29)12-33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21+,22-/m1/s1
Definition date:	2021-05-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine

ZOG

ZOG
Name:	4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
Formula:	C21 H21 F2 N O5 S
SMILES:	O=S(=O)(c1ccc(cc1)C(=O)CCC(=O)O)N1CCC(CC1)c1ccc(F)c(F)c1
InChi:	InChI=1S/C21H21F2NO5S/c22-18-6-3-16(13-19(18)23)14-9-11-24(12-10-14)30(28,29)17-4-1-15(2-5-17)20(25)7-8-21(26)27/h1-6,13-14H,7-12H2,(H,26,27)
Definition date:	2021-05-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid

ZPV

ZPV
Name:	N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine
Formula:	C20 H21 F N2 O5 S
SMILES:	O=S(=O)(c1ccc(C(=O)NCC(=O)O)c(F)c1)N1CCC(CC1)c1ccccc1
InChi:	InChI=1S/C20H21FN2O5S/c21-18-12-16(6-7-17(18)20(26)22-13-19(24)25)29(27,28)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,26)(H,24,25)
Definition date:	2021-05-18
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine

ZQ1

ZQ1
Name:	N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine
Formula:	C19 H20 Cl N3 O5 S
SMILES:	O=S(=O)(c1ccc(nc1)C(=O)NCC(=O)O)N1CCC(CC1)c1ccc(Cl)cc1
InChi:	InChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)
Definition date:	2021-05-18
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine

ZQD

ZQD
Name:	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
Formula:	C9 H14 N2 O3 S
SMILES:	CS(=O)(=O)N1CCCC1c1cc(C)on1
InChi:	InChI=1S/C9H14N2O3S/c1-7-6-8(10-14-7)9-4-3-5-11(9)15(2,12)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole

ZQJ

ZQJ
Name:	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
Formula:	C8 H11 N3 O
SMILES:	O=C1C=C2CNCCC2=NN1C
InChi:	InChI=1S/C8H11N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h4,9H,2-3,5H2,1H3
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one

ZQM

ZQM
Name:	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea
Formula:	C10 H14 N2 O S
SMILES:	CC(C)Sc1ccccc1NC(N)=O
InChi:	InChI=1S/C10H14N2OS/c1-7(2)14-9-6-4-3-5-8(9)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea

W6X

W6X
Name:	1,1,1-tris(fluoranyl)propan-2-one
Formula:	C3 H3 F3 O
SMILES:	CC(=O)C(F)(F)F
InChi:	InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
Definition date:	2020-06-06
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	1,1,1-tris(fluoranyl)propan-2-one

W6Z

W6Z
Name:	1,1,1-tris(fluoranyl)propane-2,2-diol
Formula:	C3 H5 F3 O2
SMILES:	CC(O)(O)C(F)(F)F
InChi:	InChI=1S/C3H5F3O2/c1-2(7,8)3(4,5)6/h7-8H,1H3
Definition date:	2020-06-06
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	1,1,1-tris(fluoranyl)propane-2,2-diol

G6U

G6U
Name:	~{N}-[(~{E})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine
Formula:	C16 H19 F6 N O S
SMILES:	CC(C)CCNCC=C[S](=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C16H19F6NOS/c1-11(2)4-6-23-5-3-7-25(24)14-9-12(15(17,18)19)8-13(10-14)16(20,21)22/h3,7-11,23H,4-6H2,1-2H3/b7-3+/t25-/m0/s1
Definition date:	2020-08-03
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	~{N}-[(~{E})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine

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