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DJC

DJC
Name:	3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal
Formula:	C16 H12 F4 O
SMILES:	Fc1ccc(c(c1)c2ccc(CCC=O)cc2)C(F)(F)F
InChi:	InChI=1S/C16H12F4O/c17-13-7-8-15(16(18,19)20)14(10-13)12-5-3-11(4-6-12)2-1-9-21/h3-10H,1-2H2
Definition date:	2019-07-31
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal

T67

T67
Name:	1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
Formula:	C14 H18 N4 O
SMILES:	N1(CCN(CC1)C(=O)Cc2cnc3ncccc23)C
InChi:	InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)13(19)9-11-10-16-14-12(11)3-2-4-15-14/h2-4,10H,5-9H2,1H3,(H,15,16)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one

T6J

T6J
Name:	2-[(methylsulfonyl)methyl]-1H-benzimidazole
Formula:	C9 H10 N2 O2 S
SMILES:	n1c(nc2ccccc12)CS(C)(=O)=O
InChi:	InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	2-[(methylsulfonyl)methyl]-1H-benzimidazole

T6M

T6M
Name:	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C12 H15 Cl N2 O3 S
SMILES:	N1(CCN(CC1)C(C)=O)S(c2ccc(cc2)Cl)(=O)=O
InChi:	InChI=1S/C12H15ClN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one

T6V

T6V
Name:	N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide
Formula:	C12 H13 N O3 S
SMILES:	c1cc(ccc1)N(C(C)=O)C2C=CS(C2)(=O)=O
InChi:	InChI=1S/C12H13NO3S/c1-10(14)13(11-5-3-2-4-6-11)12-7-8-17(15,16)9-12/h2-8,12H,9H2,1H3/t12-/m0/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide

T6Y

T6Y
Name:	1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C11 H15 Cl N2 O S
SMILES:	N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Cl
InChi:	InChI=1S/C11H15ClN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one

T71

T71
Name:	1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C14 H20 N2 O3 S
SMILES:	N2(CCN(S(c1c(ccc(c1)C)C)(=O)=O)CC2)C(C)=O
InChi:	InChI=1S/C14H20N2O3S/c1-11-4-5-12(2)14(10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one

T7A

T7A
Name:	N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
Formula:	C10 H10 N2 O2 S
SMILES:	n2c1c(cccc1OC)sc2NC(C)=O
InChi:	InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-9-7(14-2)4-3-5-8(9)15-10/h3-5H,1-2H3,(H,11,12,13)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide

T7D

T7D
Name:	N-(1-acetylpiperidin-4-yl)benzamide
Formula:	C14 H18 N2 O2
SMILES:	N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O
InChi:	InChI=1S/C14H18N2O2/c1-11(17)16-9-7-13(8-10-16)15-14(18)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,18)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(1-acetylpiperidin-4-yl)benzamide

T7G

T7G
Name:	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
Formula:	C14 H18 N2 O3
SMILES:	N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O
InChi:	InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide

T7J

T7J
Name:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
Formula:	C13 H15 N O3 S
SMILES:	C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O
InChi:	InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide

T7P

T7P
Name:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
Formula:	C12 H12 F N O3 S
SMILES:	C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2
InChi:	InChI=1S/C12H12FNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-7,12H,8H2,1H3/t12-/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide

T7S

T7S
Name:	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
Formula:	C13 H22 N2 O2
SMILES:	N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O
InChi:	InChI=1S/C13H22N2O2/c1-11(16)14-9-5-12(6-10-14)13(17)15-7-3-2-4-8-15/h12H,2-10H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one

T7Y

T7Y
Name:	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
Formula:	C12 H14 N2 O2
SMILES:	N2(c1cccc(c1)NC(C)=O)CCCC2=O
InChi:	InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

T81

T81
Name:	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C11 H15 Br N2 O S
SMILES:	N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Br
InChi:	InChI=1S/C11H15BrN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one

T84

T84
Name:	1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C11 H16 N2 O S
SMILES:	N1(CCN(CC1)C(C)=O)Cc2ccsc2
InChi:	InChI=1S/C11H16N2OS/c1-10(14)13-5-3-12(4-6-13)8-11-2-7-15-9-11/h2,7,9H,3-6,8H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one

T8A

T8A
Name:	1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Formula:	C17 H17 N O
SMILES:	c2cc3C(c1ccccc1)CN(C(C)=O)Cc3cc2
InChi:	InChI=1S/C17H17NO/c1-13(19)18-11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one

T8D

T8D
Name:	1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C10 H13 Cl N2 O3 S2
SMILES:	N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O
InChi:	InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one

T8J

T8J
Name:	1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one
Formula:	C11 H14 N2 O2 S
SMILES:	N1(CCN(CC1)C(C)=O)C(c2cccs2)=O
InChi:	InChI=1S/C11H14N2O2S/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one

T8M

T8M
Name:	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C11 H16 N2 O S
SMILES:	N1(CCN(CC1)C(C)=O)Cc2cccs2
InChi:	InChI=1S/C11H16N2OS/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h2-3,8H,4-7,9H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one

T8P

T8P
Name:	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Formula:	C13 H18 N2 O2
SMILES:	N2(CCN(c1ccc(cc1)OC)CC2)C(=O)C
InChi:	InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one

T8S

T8S
Name:	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide
Formula:	C12 H22 N2 O2
SMILES:	N1(CCC(C(N(C(C)C)C)=O)CC1)C(=O)C
InChi:	InChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide

T0J

T0J
Name:	N~1~-phenylpiperidine-1,4-dicarboxamide
Formula:	C13 H17 N3 O2
SMILES:	C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O
InChi:	InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N~1~-phenylpiperidine-1,4-dicarboxamide

T0S

T0S
Name:	N-[(4-sulfamoylphenyl)methyl]acetamide
Formula:	C9 H12 N2 O3 S
SMILES:	c1c(ccc(CNC(C)=O)c1)S(N)(=O)=O
InChi:	InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(4-sulfamoylphenyl)methyl]acetamide

T0V

T0V
Name:	1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine
Formula:	C12 H12 F N O
SMILES:	c2(CNCc1cc(F)ccc1)occc2
InChi:	InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine

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