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P7N

P7N
Name:	~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
Formula:	C22 H22 F3 N7 O3 S
SMILES:	CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)[S](C)(=O)=O
InChi:	InChI=1S/C22H22F3N7O3S/c1-32(36(2,34)35)20-14(4-3-9-26-20)11-27-19-16(22(23,24)25)12-28-21(31-19)29-15-6-7-17-13(10-15)5-8-18(33)30-17/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,30,33)(H2,27,28,29,31)
Definition date:	2020-04-16
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide

Q6Q

Q6Q
Name:	2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
Formula:	C32 H31 Cl N4 O5
SMILES:	COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl)ccc34)C(=O)NC5(C6CC7CC(C6)CC5C7)C(O)=O
InChi:	InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)/t17-,18+,19-,20+,32-
Definition date:	2020-05-26
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

ET3

ET3
Name:	2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide
Formula:	C30 H42 N2 O9
SMILES:	CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC
InChi:	InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3
Definition date:	2020-01-23
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide

NZW

NZW
Name:	~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
Formula:	C26 H28 N4 O4
SMILES:	COc1ccc(cc1)[CH](C)NC(=O)[CH]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3
InChi:	InChI=1S/C26H28N4O4/c1-17(18-9-12-20(34-2)13-10-18)28-26(33)23-8-5-15-30(23)24(31)16-27-25(32)22-14-11-19-6-3-4-7-21(19)29-22/h3-4,6-7,9-14,17,23H,5,8,15-16H2,1-2H3,(H,27,32)(H,28,33)/t17-,23-/m0/s1
Definition date:	2020-01-13
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide

O08

O08
Name:	~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide
Formula:	C26 H26 Cl F N4 O5
SMILES:	COc1ccc([CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)CNC(=O)c3ccc4cc(F)ccc4n3)c(Cl)c1
InChi:	InChI=1S/C26H26ClFN4O5/c1-14(19-6-5-18(37-2)11-20(19)27)30-26(36)23-10-17(33)13-32(23)24(34)12-29-25(35)22-7-3-15-9-16(28)4-8-21(15)31-22/h3-9,11,14,17,23,33H,10,12-13H2,1-2H3,(H,29,35)(H,30,36)/t14-,17+,23-/m0/s1
Definition date:	2020-01-13
Last modified:	2021-01-22
Release date:	2021-01-27
Identifier:	~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide

VXG

VXG
Name:	(3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
Formula:	C13 H15 N O3
SMILES:	N2(C(C)=O)CC(c1ccccc1)C(C2)C(=O)O
InChi:	InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m0/s1
Definition date:	2020-09-17
Last modified:	2021-01-19
Release date:	2020-09-30
Identifier:	(3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid

FZA

FZA
Name:	(13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Formula:	C21 H21 N3 O3
SMILES:	c1ccc5c(c1OC)C(N4C(c2c(c3c(n2)cccc3OC)CC4)N5C)=O
InChi:	InChI=1S/C21H21N3O3/c1-23-14-7-5-9-16(27-3)18(14)21(25)24-11-10-12-17-13(22-19(12)20(23)24)6-4-8-15(17)26-2/h4-9,20,22H,10-11H2,1-3H3/t20-/m0/s1
Definition date:	2018-04-27
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	(13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one

EOO

EOO
Name:	(1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Formula:	C19 H22 N2 O5
SMILES:	COC(=O)N1CCCc2cc(NC(=O)[CH]3CC=CC[CH]3C(O)=O)ccc12
InChi:	InChI=1S/C19H22N2O5/c1-26-19(25)21-10-4-5-12-11-13(8-9-16(12)21)20-17(22)14-6-2-3-7-15(14)18(23)24/h2-3,8-9,11,14-15H,4-7,10H2,1H3,(H,20,22)(H,23,24)/t14-,15+/m1/s1
Definition date:	2020-01-17
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	(1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

ERR

ERR
Name:	2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
Formula:	C24 H22 N4 O3
SMILES:	COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc5n(C)ccc5c4
InChi:	InChI=1S/C24H22N4O3/c1-27-10-8-16-11-15(5-6-19(16)27)18-14-23-25-9-7-20(28(23)26-18)17-12-21(29-2)24(31-4)22(13-17)30-3/h5-14H,1-4H3
Definition date:	2020-01-21
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

QNE

QNE
Name:	~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine
Formula:	C28 H35 F2 N5 O
SMILES:	COc1cc(NC2CN(CCCF)C2)ccc1[CH]3N(CC4(F)CC4)[CH](C)Cc5c3ccc6n[nH]cc56
InChi:	InChI=1S/C28H35F2N5O/c1-18-12-23-21(6-7-25-24(23)14-31-33-25)27(35(18)17-28(30)8-9-28)22-5-4-19(13-26(22)36-2)32-20-15-34(16-20)11-3-10-29/h4-7,13-14,18,20,27,32H,3,8-12,15-17H2,1-2H3,(H,31,33)/t18-,27+/m1/s1
Definition date:	2020-07-08
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine

QNH

QNH
Name:	6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine
Formula:	C24 H29 F3 N6
SMILES:	CCCN1CC(C1)Nc2ccc(nc2)[CH]3N(CC(F)(F)F)[CH](C)Cc4c3ccc5[nH]ncc45
InChi:	InChI=1S/C24H29F3N6/c1-3-8-32-12-17(13-32)30-16-4-6-22(28-10-16)23-18-5-7-21-20(11-29-31-21)19(18)9-15(2)33(23)14-24(25,26)27/h4-7,10-11,15,17,23,30H,3,8-9,12-14H2,1-2H3,(H,29,31)/t15-,23+/m1/s1
Definition date:	2020-07-08
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine

QNK

QNK
Name:	6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine
Formula:	C26 H32 F2 N6
SMILES:	C[CH]1Cc2c(ccc3n[nH]cc23)[CH](N1CC4(F)CC4)c5ccc(NC6CN(CCCF)C6)cn5
InChi:	InChI=1S/C26H32F2N6/c1-17-11-21-20(4-6-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)24-5-3-18(12-29-24)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25,31H,2,7-11,14-16H2,1H3,(H,30,32)/t17-,25+/m1/s1
Definition date:	2020-07-08
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-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

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

WQG

WQG
Name:	quinazolin-4(3H)-one
Formula:	C8 H6 N2 O
SMILES:	N2C=Nc1c(cccc1)C2=O
InChi:	InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	quinazolin-4(3H)-one

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

VUD

VUD
Name:	6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
Formula:	C19 H16 F N5 O2
SMILES:	C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4
InChi:	InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1
Definition date:	2020-09-15
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)pyridin-2(1H)-one

W2M

W2M
Name:	(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
Formula:	C12 H14 N2 O
SMILES:	N3C2(Cc1c(cccc1)NC2=O)CCC3
InChi:	InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one

SYQ

SYQ
Name:	(S)-N-(1-cyclopropylethyl)-6-methylpicolinamide
Formula:	C12 H16 N2 O
SMILES:	C[CH](NC(=O)c1cccc(C)n1)C2CC2
InChi:	InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m0/s1
Synonyms:	~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
Definition date:	2020-12-07
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide

T3Z

T3Z
Name:	(R)-N-(1-cyclopropylethyl)-6-methylpicolinamide
Formula:	C12 H16 N2 O
SMILES:	C[CH](NC(=O)c1cccc(C)n1)C2CC2
InChi:	InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
Synonyms:	~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
Definition date:	2020-12-14
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide

TJD

TJD
Name:	methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
Formula:	C10 H8 N2 O3
SMILES:	N2=C(C(=O)OC)c1c(cccc1)NC2=O
InChi:	InChI=1S/C10H8N2O3/c1-15-9(13)8-6-4-2-3-5-7(6)11-10(14)12-8/h2-5H,1H3,(H,11,12,14)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate

TJS

TJS
Name:	2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
Formula:	C9 H10 N2 O3
SMILES:	C1CCCC2=C1NC(N=C2C(O)=O)=O
InChi:	InChI=1S/C9H10N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid

TJY

TJY
Name:	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid
Formula:	C9 H6 N2 O3
SMILES:	O=C2N=C(C(=O)O)c1c(cccc1)N2
InChi:	InChI=1S/C9H6N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid

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