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WRJ

WRJ
Name:	2H-1-benzopyran-3-carboxamide
Formula:	C10 H9 N O2
SMILES:	c1cccc2c1C=C(C(=O)N)CO2
InChi:	InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2H-1-benzopyran-3-carboxamide

WRM

WRM
Name:	2-(1H-benzimidazol-1-yl)-N-methylacetamide
Formula:	C10 H11 N3 O
SMILES:	n1(CC(=O)NC)cnc2ccccc12
InChi:	InChI=1S/C10H11N3O/c1-11-10(14)6-13-7-12-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,11,14)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-(1H-benzimidazol-1-yl)-N-methylacetamide

WRV

WRV
Name:	N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea
Formula:	C11 H15 F N2 O2
SMILES:	N(C(C)CO)C(Nc1ccc(c(c1)F)C)=O
InChi:	InChI=1S/C11H15FN2O2/c1-7-3-4-9(5-10(7)12)14-11(16)13-8(2)6-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14,16)/t8-/m0/s1
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea

WRY

WRY
Name:	7-fluoro-N,2-dimethylquinoline-3-carboxamide
Formula:	C12 H11 F N2 O
SMILES:	N(C)C(=O)c2cc1ccc(F)cc1nc2C
InChi:	InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	7-fluoro-N,2-dimethylquinoline-3-carboxamide

WS4

WS4
Name:	N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C11 H11 N3 O2
SMILES:	n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C
InChi:	InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide

WSG

WSG
Name:	N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide
Formula:	C12 H12 F N3 O
SMILES:	n2(CC)ncc(NC(=O)c1ccc(cc1)F)c2
InChi:	InChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide

WSJ

WSJ
Name:	N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide
Formula:	C12 H15 N3 O3 S
SMILES:	N1(C(C)=C(NS(=O)(=O)C)C(N1c2ccccc2)=O)C
InChi:	InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide

WSM

WSM
Name:	4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one
Formula:	C11 H14 N2 O2
SMILES:	NCCCN2c1c(cccc1)OCC2=O
InChi:	InChI=1S/C11H14N2O2/c12-6-3-7-13-9-4-1-2-5-10(9)15-8-11(13)14/h1-2,4-5H,3,6-8,12H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one

WSY

WSY
Name:	3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid
Formula:	C7 H11 N3 O2
SMILES:	n1(CCC(=O)O)c(C)nc(n1)C
InChi:	InChI=1S/C7H11N3O2/c1-5-8-6(2)10(9-5)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12)
Definition date:	2020-11-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid

QFT

QFT
Name:	2-fluoranyl-5-nitro-phenol
Formula:	C6 H4 F N O3
SMILES:	Oc1cc(ccc1F)[N](=O)=O
InChi:	InChI=1S/C6H4FNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
Definition date:	2020-06-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-fluoranyl-5-nitro-phenol

QFZ

QFZ
Name:	2,3,4,5,6-pentakis(fluoranyl)phenol
Formula:	C6 H F5 O
SMILES:	Oc1c(F)c(F)c(F)c(F)c1F
InChi:	InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
Definition date:	2020-06-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2,3,4,5,6-pentakis(fluoranyl)phenol

OQ5

OQ5
Name:	20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid
Formula:	C41 H76 N4 O12
SMILES:	CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O
InChi:	InChI=1S/C41H76N4O12/c1-3-45(4-2)39(49)34-57-32-30-55-28-26-43-38(48)33-56-31-29-54-27-25-42-36(46)24-23-35(41(52)53)44-37(47)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-40(50)51/h35H,3-34H2,1-2H3,(H,42,46)(H,43,48)(H,44,47)(H,50,51)(H,52,53)/t35-/m0/s1
Definition date:	2020-03-27
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid

UTJ

UTJ
Name:	[4-(isoquinolin-8-yl)phenyl]acetonitrile
Formula:	C17 H12 N2
SMILES:	n2cc3c(c1ccc(cc1)CC#N)cccc3cc2
InChi:	InChI=1S/C17H12N2/c18-10-8-13-4-6-15(7-5-13)16-3-1-2-14-9-11-19-12-17(14)16/h1-7,9,11-12H,8H2
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[4-(isoquinolin-8-yl)phenyl]acetonitrile

UTM

UTM
Name:	8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
Formula:	C36 H35 N5 O
SMILES:	N7(Cc1ccc(c(c1)OCCc2ccc(cc2)c3c4c(ccc3)ccnc4)c5cnc6c5cncc6)CCN(C)CC7
InChi:	InChI=1S/C36H35N5O/c1-40-16-18-41(19-17-40)25-27-7-10-31(33-24-39-35-12-15-38-23-34(33)35)36(21-27)42-20-13-26-5-8-29(9-6-26)30-4-2-3-28-11-14-37-22-32(28)30/h2-12,14-15,21-24,39H,13,16-20,25H2,1H3
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline

UTS

UTS
Name:	1-benzyl-1H-benzimidazole
Formula:	C14 H12 N2
SMILES:	c1ccc(cc1)Cn3cnc2ccccc23
InChi:	InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-benzyl-1H-benzimidazole

UTV

UTV
Name:	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one
Formula:	C18 H17 F2 N O2
SMILES:	c3(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F
InChi:	InChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one

UTY

UTY
Name:	3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile
Formula:	C28 H29 N7 O3
SMILES:	N5(CCN(c1ncc(cn1)c3ccc2C(=O)C(C)(N(c2c3)Cc4cccnc4C#N)C)CC5C)C(CO)=O
InChi:	InChI=1S/C28H29N7O3/c1-18-15-33(9-10-34(18)25(37)17-36)27-31-13-21(14-32-27)19-6-7-22-24(11-19)35(28(2,3)26(22)38)16-20-5-4-8-30-23(20)12-29/h4-8,11,13-14,18,36H,9-10,15-17H2,1-3H3/t18-/m1/s1
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile

VOJ

VOJ
Name:	3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
Formula:	C20 H19 F N6 O
SMILES:	n3c(c(OC(c2cc(ccc2n1cccn1)F)C)cc(c3)c4cnnc4C)N
InChi:	InChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine

VOM

VOM
Name:	2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
Formula:	C21 H18 F N5 O2
SMILES:	c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C
InChi:	InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide

VOP

VOP
Name:	[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid
Formula:	C23 H19 F N6 O3
SMILES:	c1c(c(cc2cnn(c12)CC(O)=O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N
InChi:	InChI=1S/C23H19FN6O3/c1-13(33-21-9-14-7-16(24)3-4-18(14)28-23(21)25)17-10-19-15(11-27-30(19)12-22(31)32)8-20(17)29-6-2-5-26-29/h2-11,13H,12H2,1H3,(H2,25,28)(H,31,32)/t13-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid

QKT

QKT
Name:	Diperodon (S-enantiomer)
Formula:	C22 H27 N3 O4
SMILES:	O=C(Nc1ccccc1)OC[CH](CN2CCCCC2)OC(=O)Nc3ccccc3
InChi:	InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/t20-/m0/s1
Definition date:	2020-06-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[(2~{S})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate

VR7

VR7
Name:	2-hydroxy-5-(thiophen-3-yl)benzoic acid
Formula:	C11 H8 O3 S
SMILES:	c1c(ccc(c1C(O)=O)O)c2ccsc2
InChi:	InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)
Definition date:	2020-09-09
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-hydroxy-5-(thiophen-3-yl)benzoic acid

X2G

X2G
Name:	4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate
Formula:	C21 H15 F2 N3 O7 S
SMILES:	[C@H](=CC#N)c1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)F
InChi:	InChI=1S/C21H15F2N3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+
Definition date:	2020-11-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate

X2J

X2J
Name:	4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate
Formula:	C21 H15 Cl F N3 O7 S
SMILES:	[C@H](C#N)=Cc1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)Cl
InChi:	InChI=1S/C21H15ClFN3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+
Definition date:	2020-11-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate

X2S

X2S
Name:	4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate
Formula:	C19 H13 Cl F N3 O7 S
SMILES:	N#Cc3cc(Oc1c(cc(cc1)OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)cc(c3)Cl
InChi:	InChI=1S/C19H13ClFN3O7S/c20-13-7-12(11-22)8-15(9-13)30-16-2-1-14(31-32(21,27)28)10-17(16)29-6-5-24-4-3-18(25)23-19(24)26/h1-4,7-10H,5-6H2,(H,23,25,26)
Definition date:	2020-11-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate

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