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NY8

NY8
Name:	~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine
Formula:	C31 H40 N6 O2
SMILES:	COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccc5ccccc5c4)c2cc1OC
InChi:	InChI=1S/C31H40N6O2/c1-36(2)15-7-14-32-31-34-27-20-29(39-4)28(38-3)19-26(27)30(35-31)33-25-12-16-37(17-13-25)21-22-10-11-23-8-5-6-9-24(23)18-22/h5-6,8-11,18-20,25H,7,12-17,21H2,1-4H3,(H2,32,33,34,35)
Definition date:	2020-01-08
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine

07C

07C
Name:	2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline
Formula:	C12 H8 N4 O2 S
SMILES:	CSc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O
InChi:	InChI=1S/C12H8N4O2S/c1-19-12-14-6-8-4-7-5-13-3-2-9(7)11(16(17)18)10(8)15-12/h2-6H,1H3
Definition date:	2021-06-01
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline

VF2

VF2
Name:	4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline
Formula:	C22 H30 Cl N2
SMILES:	CN(C)c1ccc(C=Cc2cc[n+](CCCCCCCCl)cc2)cc1
InChi:	InChI=1S/C22H30ClN2/c1-24(2)22-12-10-20(11-13-22)8-9-21-14-18-25(19-15-21)17-7-5-3-4-6-16-23/h8-15,18-19H,3-7,16-17H2,1-2H3/q+1
Definition date:	2021-05-12
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	4-[(~{E})-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-aniline

4OF

4OF
Name:	N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Formula:	C27 H31 Cl F4 N6 O2 S
SMILES:	CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(cn2)C(F)(F)F)cc1F
InChi:	InChI=1S/C27H31ClF4N6O2S/c1-26(2,3)41(39,40)37-23-14-18(6-8-21(23)28)34-24-20(27(30,31)32)15-33-25(36-24)35-17-5-7-19(22(29)13-17)16-9-11-38(4)12-10-16/h5-8,13-16,37H,9-12H2,1-4H3,(H2,33,34,35,36)
Definition date:	2021-07-13
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide

4OW

4OW
Name:	N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Formula:	C27 H34 Cl F N6 O2 S
SMILES:	CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(C)cn2)cc1F
InChi:	InChI=1S/C27H34ClFN6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33)
Definition date:	2021-07-13
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide

XWV

XWV
Name:	5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline
Formula:	C22 H25 N5 O2 S
SMILES:	C1(N(CCOC1)c5cc(C2(CC2)S(C)(=N)=O)nc(c4cccc3c4ccnc3)n5)C
InChi:	InChI=1S/C22H25N5O2S/c1-15-14-29-11-10-27(15)20-12-19(22(7-8-22)30(2,23)28)25-21(26-20)18-5-3-4-16-13-24-9-6-17(16)18/h3-6,9,12-13,15,23H,7-8,10-11,14H2,1-2H3/t15-,30-/m1/s1
Definition date:	2021-01-18
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline

XWY

XWY
Name:	(3R)-3-methyl-4-{6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine
Formula:	C23 H26 N4 O2 S
SMILES:	C5(N(c4cc(C1(CC1)S(C)(=N)=O)nc(c3cccc2c3cccc2)n4)CCOC5)C
InChi:	InChI=1S/C23H26N4O2S/c1-16-15-29-13-12-27(16)21-14-20(23(10-11-23)30(2,24)28)25-22(26-21)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,14,16,24H,10-13,15H2,1-2H3/t16-,30-/m1/s1
Definition date:	2021-01-18
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	(3R)-3-methyl-4-{6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine

XXV

XXV
Name:	1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide
Formula:	C19 H22 N6 O3 S
SMILES:	C1(N(CCOC1)c5cc(C2(CC2)S(N)(=O)=O)nc(c4ccnc3c4ccn3)n5)C
InChi:	InChI=1S/C19H22N6O3S/c1-12-11-28-9-8-25(12)16-10-15(19(4-5-19)29(20,26)27)23-18(24-16)14-3-7-22-17-13(14)2-6-21-17/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,21,22)(H2,20,26,27)/t12-/m1/s1
Definition date:	2021-01-18
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide

ZLM

ZLM
Name:	(1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide
Formula:	C33 H47 N5 O4
SMILES:	O=C1c2ccc(cc2C=CN1CC)c1cnc([NH]1)C(CCCCCC(O)(O)CC)NC(=O)C1CC21CCN(CC)CC2
InChi:	InChI=1S/C33H47N5O4/c1-4-33(41,42)14-9-7-8-10-27(36-30(39)26-21-32(26)15-18-37(5-2)19-16-32)29-34-22-28(35-29)24-11-12-25-23(20-24)13-17-38(6-3)31(25)40/h11-13,17,20,22,26-27,41-42H,4-10,14-16,18-19,21H2,1-3H3,(H,34,35)(H,36,39)/t26-,27+/m1/s1
Definition date:	2021-05-05
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	(1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide

RYK

RYK
Name:	(5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
Formula:	C24 H28 N2 O7
SMILES:	CCNC(=O)N1CCc2cc3OCOc3c(OC)c2[CH]1[CH]4OCc5c4ccc(OC)c5OC
InChi:	InChI=1S/C24H28N2O7/c1-5-25-24(27)26-9-8-13-10-17-22(33-12-32-17)23(30-4)18(13)19(26)21-14-6-7-16(28-2)20(29-3)15(14)11-31-21/h6-7,10,19,21H,5,8-9,11-12H2,1-4H3,(H,25,27)/t19-,21+/m1/s1
Definition date:	2020-11-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide

G3L

G3L
Name:	Nomilin
Formula:	C28 H34 O9
SMILES:	CC(=O)O[CH]1CC(=O)OC(C)(C)[CH]2CC(=O)[C]3(C)[CH](CC[C]4(C)[CH](OC(=O)[CH]5O[C]345)c6cocc6)[C]12C
InChi:	InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1
Synonyms:	[(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate
Definition date:	2020-07-21
Last modified:	2021-07-02
Release date:	2021-07-07

HNO

HNO
Name:	N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
Formula:	C12 H13 Cl2 N3
SMILES:	CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1
InChi:	InChI=1S/C12H13Cl2N3/c1-12(2,3)17-11-6-15-9-4-7(13)8(14)5-10(9)16-11/h4-6H,1-3H3,(H,16,17)
Definition date:	2021-01-20
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	~{N}-~{tert}-butyl-6,7-bis(chloranyl)quinoxalin-2-amine

T3K

T3K
Name:	3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
Formula:	C21 H30 N2 O5
SMILES:	COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3
InChi:	InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+
Definition date:	2020-12-14
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one

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

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

UMH

UMH
Name:	6-methoxyquinoline-3-carboxylic acid
Formula:	C11 H9 N O3
SMILES:	COc1ccc2ncc(cc2c1)C(O)=O
InChi:	InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-12-10)11(13)14/h2-6H,1H3,(H,13,14)
Definition date:	2021-03-02
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	6-methoxyquinoline-3-carboxylic acid

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

S8Q

S8Q
Name:	2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone
Formula:	C22 H32 N2 O5
SMILES:	COc1ccc(cc1OC2CCCC2)C(C)=NOCC(=O)N3C[CH](C)O[CH](C)C3
InChi:	InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-/t15-,16-/m0/s1
Definition date:	2020-11-11
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone

QV2

QV2
Name:	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
Formula:	C19 H20 N4 O2
SMILES:	O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4
InChi:	InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)
Definition date:	2020-08-13
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

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