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S9Z

S9Z
Name:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C25 H30 Br N3 O3
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3
InChi:	InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
Definition date:	2020-11-13
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide

V4V

V4V
Name:	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C23 H22 N4 O
SMILES:	c4(N)ccc1c(cc(cc1)COc2cc(ccc2)CNCc3ccccn3)n4
InChi:	InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V4Y

V4Y
Name:	7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C25 H27 N5 O
SMILES:	c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V54

V54
Name:	7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C23 H23 N5 O
SMILES:	c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V57

V57
Name:	7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C24 H24 N4 O
SMILES:	c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N
InChi:	InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V5D

V5D
Name:	7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C26 H29 N5 O
SMILES:	c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N
InChi:	InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V5G

V5G
Name:	7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
Formula:	C23 H22 N4 O
SMILES:	c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine

WV1

WV1
Name:	N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide
Formula:	C12 H16 N2 O
SMILES:	c2c(NC(=O)C1CC1)ccc(c2)C(C)N
InChi:	InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1
Definition date:	2020-11-17
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide

WV4

WV4
Name:	N-ethyl-2-fluoro-4-(methylsulfonyl)aniline
Formula:	C9 H12 F N O2 S
SMILES:	c1cc(NCC)c(cc1S(C)(=O)=O)F
InChi:	InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3
Definition date:	2020-11-17
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-ethyl-2-fluoro-4-(methylsulfonyl)aniline

WVD

WVD
Name:	4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
Formula:	C9 H11 N3 O2 S
SMILES:	C2NC(=O)CN(C(c1c(C)ncs1)=O)C2
InChi:	InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13)
Definition date:	2020-11-17
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one

WZ7

WZ7
Name:	2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
Formula:	C11 H13 N3 O
SMILES:	c2cnc(NC1CC=CC1)cc2C(=O)N
InChi:	InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14)
Definition date:	2020-11-18
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide

WZM

WZM
Name:	6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
Formula:	C10 H14 N4 O
SMILES:	c1(ccc(nn1)N(C)C2CCC2)C(=O)N
InChi:	InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15)
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide

WZP

WZP
Name:	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
Formula:	C11 H22 N2 O
SMILES:	C1CN(C(C(C)C)=O)CCN1C(C)C
InChi:	InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one

WZS

WZS
Name:	1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
Formula:	C15 H22 N2 O
SMILES:	c2c(CCNC1CCN(C(C)=O)CC1)cccc2
InChi:	InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one

WZY

WZY
Name:	N-(4-methoxyphenyl)glycinamide
Formula:	C9 H12 N2 O2
SMILES:	N(c1ccc(cc1)OC)C(CN)=O
InChi:	InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-(4-methoxyphenyl)glycinamide

X0G

X0G
Name:	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
Formula:	C10 H15 N3 O2
SMILES:	C3N(Cc1nc(no1)C2CC2)CCOC3
InChi:	InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine

X0M

X0M
Name:	N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
Formula:	C11 H14 N2 O
SMILES:	c2c1CC(CNc1ccc2)NC(C)=O
InChi:	InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide

X0S

X0S
Name:	2-chloro-N-methylbenzene-1-sulfonamide
Formula:	C7 H8 Cl N O2 S
SMILES:	c1c(S(NC)(=O)=O)c(Cl)ccc1
InChi:	InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-chloro-N-methylbenzene-1-sulfonamide

X1G

X1G
Name:	N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
Formula:	C13 H17 N O3
SMILES:	c1cc(CNC(CC(C)C)=O)cc2c1OCO2
InChi:	InChI=1S/C13H17NO3/c1-9(2)5-13(15)14-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,15)
Definition date:	2020-11-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide

X1M

X1M
Name:	1-(6-methoxypyridin-2-yl)-N-methylmethanamine
Formula:	C8 H12 N2 O
SMILES:	c1(nc(OC)ccc1)CNC
InChi:	InChI=1S/C8H12N2O/c1-9-6-7-4-3-5-8(10-7)11-2/h3-5,9H,6H2,1-2H3
Definition date:	2020-11-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	1-(6-methoxypyridin-2-yl)-N-methylmethanamine

BUA

BUA
Name:	butanoic acid
Formula:	C4 H8 O2
SMILES:	CCCC(O)=O
InChi:	InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
Definition date:	1999-07-08
Last modified:	2021-06-23
Identifier:	butanoic acid

PEO

PEO
Name:	HYDROGEN PEROXIDE
Formula:	H2 O2
SMILES:	OO
InChi:	InChI=1S/H2O2/c1-2/h1-2H
Definition date:	1999-07-08
Last modified:	2021-06-23
Identifier:	hydrogen peroxide

K7K

K7K
Name:	2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal
Formula:	C19 H26 N3 O6 P
SMILES:	CCCCCC[P](=O)(OC[CH](N)C(O)=O)Oc1cccnc1c2ncccc2O
InChi:	InChI=1S/C19H26N3O6P/c1-2-3-4-5-12-29(26,27-13-14(20)19(24)25)28-16-9-7-11-22-18(16)17-15(23)8-6-10-21-17/h6-11,14,23H,2-5,12-13,20H2,1H3,(H,24,25)/t14-,29-/m0/s1
Definition date:	2019-05-01
Last modified:	2021-06-22
Release date:	2019-12-25
Identifier:	(2~{S})-2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanoic acid

XFV

XFV
Name:	1lambda~6~-thietane-1,1-dione
Formula:	C3 H6 O2 S
SMILES:	O=S1(CCC1)=O
InChi:	InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1lambda~6~-thietane-1,1-dione

YV4

YV4
Name:	(3S)-3-aminopyrrolidin-2-one
Formula:	C4 H8 N2 O
SMILES:	O=C1NCCC1N
InChi:	InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
Definition date:	2021-04-01
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3S)-3-aminopyrrolidin-2-one

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