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9SS

9SS
Name:	(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile
Formula:	C18 H19 N7 O
SMILES:	O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)N1CCCC(C#N)C1
InChi:	InChI=1S/C18H19N7O/c19-6-13-2-1-5-25(11-13)16(26)14-7-22-17(23-8-14)24-18(3-4-18)15-9-20-12-21-10-15/h7-10,12-13H,1-5,11H2,(H,22,23,24)/t13-/m0/s1
Definition date:	2021-10-26
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile

9TC

9TC
Name:	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone
Formula:	C18 H22 N6 O2
SMILES:	O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1
InChi:	InChI=1S/C18H22N6O2/c25-16(24-6-1-18(13-24)2-7-26-8-3-18)14-9-21-17(22-10-14)23-12-15-11-19-4-5-20-15/h4-5,9-11H,1-3,6-8,12-13H2,(H,21,22,23)
Definition date:	2021-10-26
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone

6IU

6IU
Name:	N-(2-acetamidoethyl)-2-nitro-ethanamide
Formula:	C6 H11 N3 O4
SMILES:	CC(=O)NCCNC(=O)C[N+]([O-])=O
InChi:	InChI=1S/C6H11N3O4/c1-5(10)7-2-3-8-6(11)4-9(12)13/h2-4H2,1H3,(H,7,10)(H,8,11)
Definition date:	2021-09-17
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-(2-acetamidoethyl)-2-nitro-ethanamide

H9C

H9C
Name:	Bis(1,10-phenanthroline)platinum(II)
Formula:	C24 H16 N4 Pt
SMILES:	[Pt].c1cnc2c(c1)ccc3cccnc23.c4cnc5c(c4)ccc6cccnc56
InChi:	InChI=1S/2C12H8N2.Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1
Definition date:	2020-12-01
Last modified:	2022-01-07
Release date:	2022-01-12

7VZ

7VZ
Name:	methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Formula:	C14 H18 Cl N O4 S2
SMILES:	COC(=O)c1cc(c(SC2CCCCC2)cc1Cl)[S](N)(=O)=O
InChi:	InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)12(8-11(10)15)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19)
Definition date:	2021-09-09
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate

BVI

BVI
Name:	8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine
Formula:	C20 H23 N5 O
SMILES:	Cc1n(ncc1Nc1nc2c(cccc2cn1)C1CC1)C1CCOCC1
InChi:	InChI=1S/C20H23N5O/c1-13-18(12-22-25(13)16-7-9-26-10-8-16)23-20-21-11-15-3-2-4-17(14-5-6-14)19(15)24-20/h2-4,11-12,14,16H,5-10H2,1H3,(H,21,23,24)
Definition date:	2021-11-18
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine

BWI

BWI
Name:	1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile
Formula:	C21 H22 N6 O
SMILES:	N#CC1(CC1)c1cccc2cnc(nc12)Nc1cnn(C2CCOCC2)c1C
InChi:	InChI=1S/C21H22N6O/c1-14-18(12-24-27(14)16-5-9-28-10-6-16)25-20-23-11-15-3-2-4-17(19(15)26-20)21(13-22)7-8-21/h2-4,11-12,16H,5-10H2,1H3,(H,23,25,26)
Definition date:	2021-11-18
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile

U3K

U3K
Name:	~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine
Formula:	C14 H17 N O
SMILES:	CN(Cc1oc(C)cc1)Cc2ccccc2
InChi:	InChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
Definition date:	2021-01-19
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine

TE5

TE5
Name:	4-methoxy-6-phenyl-pyrimidin-2-amine
Formula:	C11 H11 N3 O
SMILES:	COc1cc(nc(N)n1)c2ccccc2
InChi:	InChI=1S/C11H11N3O/c1-15-10-7-9(13-11(12)14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)
Synonyms:	4-methoxy-6-phenylpyrimidin-2-ylamine
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	4-methoxy-6-phenyl-pyrimidin-2-amine

TE8

TE8
Name:	(2~{R})-2-(4-phenylphenoxy)propanoic acid
Formula:	C15 H14 O3
SMILES:	C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O
InChi:	InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(2~{R})-2-(4-phenylphenoxy)propanoic acid

TEH

TEH
Name:	4-(2-phenoxyethanoyl)piperazin-2-one
Formula:	C12 H14 N2 O3
SMILES:	O=C1CN(CCN1)C(=O)COc2ccccc2
InChi:	InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	4-(2-phenoxyethanoyl)piperazin-2-one

TEK

TEK
Name:	~{N}-(1-ethylbenzimidazol-2-yl)ethanamide
Formula:	C11 H13 N3 O
SMILES:	CCn1c(NC(C)=O)nc2ccccc12
InChi:	InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15)
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-(1-ethylbenzimidazol-2-yl)ethanamide

TEZ

TEZ
Name:	N-(2,1,3-Benzothiadiazol-5-yl)acetamide
Formula:	C8 H7 N3 O S
SMILES:	CC(=O)Nc1ccc2nsnc2c1
InChi:	InChI=1S/C8H7N3OS/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7/h2-4H,1H3,(H,9,12)
Synonyms:	~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide

BXI

BXI
Name:	1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol
Formula:	C23 H28 Cl2 N6 O2
SMILES:	CC(C)(O)Cn1ncc(Nc2nc3cc(C4CCN(CC4)C4COC4)c(Cl)cc3cn2)c1Cl
InChi:	InChI=1S/C23H28Cl2N6O2/c1-23(2,32)13-31-21(25)20(10-27-31)29-22-26-9-15-7-18(24)17(8-19(15)28-22)14-3-5-30(6-4-14)16-11-33-12-16/h7-10,14,16,32H,3-6,11-13H2,1-2H3,(H,26,28,29)
Definition date:	2021-11-18
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol

TKE

TKE
Name:	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
Formula:	C15 H16 I N3 O2 S2
SMILES:	N[S](=O)(=O)c1ccc(CCNC(=S)Nc2ccc(I)cc2)cc1
InChi:	InChI=1S/C15H16IN3O2S2/c16-12-3-5-13(6-4-12)19-15(22)18-10-9-11-1-7-14(8-2-11)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22)
Definition date:	2021-01-04
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea

TKQ

TKQ
Name:	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
Formula:	C15 H16 I N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(I)cc2)cc1
InChi:	InChI=1S/C15H16IN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20)
Definition date:	2021-01-07
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

BYL

BYL
Name:	(3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol
Formula:	C25 H29 Cl F2 N6 O2
SMILES:	OC1COCC1(C)N1CCC(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3C)ncc2cc1Cl
InChi:	InChI=1S/C25H29ClF2N6O2/c1-14-20(11-30-34(14)21-9-25(21,27)28)32-23-29-10-16-7-18(26)17(8-19(16)31-23)15-3-5-33(6-4-15)24(2)13-36-12-22(24)35/h7-8,10-11,15,21-22,35H,3-6,9,12-13H2,1-2H3,(H,29,31,32)/t21-,22+,24-/m1/s1
Definition date:	2021-11-18
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol

SWQ

SWQ
Name:	6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Formula:	C12 H10 N4 O S2
SMILES:	CSc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1
InChi:	InChI=1S/C12H10N4OS2/c1-18-8-3-2-4-9(7-8)19-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)
Definition date:	2020-12-02
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

SWT

SWT
Name:	6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Formula:	C12 H10 N4 O S
SMILES:	Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
InChi:	InChI=1S/C12H10N4OS/c1-8-2-4-9(5-3-8)18-11-7-6-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)
Definition date:	2020-12-02
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

SXQ

SXQ
Name:	3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one
Formula:	C11 H6 Cl2 N4 O S
SMILES:	Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1Cl
InChi:	InChI=1S/C11H6Cl2N4OS/c12-7-2-1-6(5-8(7)13)19-10-4-3-9-14-15-11(18)17(9)16-10/h1-5H,(H,15,18)
Definition date:	2020-12-03
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	6-(3,4-dichlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

V4Q

V4Q
Name:	N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
Formula:	C28 H24 F N7 O2
SMILES:	CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4cccc5nccnc45)n2c6ccccc6F
InChi:	InChI=1S/C28H24FN7O2/c1-2-38-19-10-11-23(32-16-19)27-35-34-26(36(27)24-9-4-3-7-21(24)29)17-14-18(15-17)33-28(37)20-6-5-8-22-25(20)31-13-12-30-22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18-
Synonyms:	146282356
Definition date:	2021-04-12
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide

V5Q

V5Q
Name:	~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide
Formula:	C38 H38 N6 O7
SMILES:	COc1cc2CCN(CCc3ccc(cc3)n4nnc(n4)c5cc(OC)c(OC)cc5NC(=O)[CH]6CC(=O)c7ccccc7O6)Cc2cc1OC
InChi:	InChI=1S/C38H38N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-20,36H,13-16,21-22H2,1-4H3,(H,39,46)/t36-/m1/s1
Definition date:	2021-04-19
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide

VX8

VX8
Name:	Lumacaftor
Formula:	C24 H18 F2 N2 O5
SMILES:	O=C(O)c1cccc(c1)c1nc(ccc1C)NC(=O)C1(CC1)c1ccc2OC(F)(F)Oc2c1
InChi:	InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
Synonyms:	3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid
Definition date:	2021-11-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid

T0B

T0B
Name:	[(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone
Formula:	C23 H27 N5 O4
SMILES:	COc1cc2nc(nc(N)c2cc1OC)N3CCN([CH]4CCCC[CH]34)C(=O)c5occc5
InChi:	InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
Definition date:	2020-12-08
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	[(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone

T1W

T1W
Name:	[(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone
Formula:	C11 H20 N2 O2
SMILES:	C[CH]1CCCCN1C(=O)N2CCOCC2
InChi:	InChI=1S/C11H20N2O2/c1-10-4-2-3-5-13(10)11(14)12-6-8-15-9-7-12/h10H,2-9H2,1H3/t10-/m0/s1
Definition date:	2020-12-13
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	[(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone

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