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PDB Info pages Status search Chemie search: 5225 results BIRD

OZ8

OZ8
Name:	4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one
Formula:	C20 H25 N3 O2
SMILES:	O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc4ccccc4
InChi:	InChI=1S/C20H25N3O2/c24-20-15-18(22-9-11-25-12-10-22)14-19(21-20)23-8-4-7-17(23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m1/s1
Definition date:	2020-04-08
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one

YE4

YE4
Name:	N-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Formula:	C23 H24 Cl N3 O3
SMILES:	c4(ccc(CNC(C1=CN(C)c2ccc(cc2C1=O)CN3CCOCC3)=O)cc4)Cl
InChi:	InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)
Definition date:	2021-02-23
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	N-[(4-chlorophenyl)methyl]-1-methyl-6-[(morpholin-4-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

YK1

YK1
Name:	4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
Formula:	C23 H22 F4 N6 O2
SMILES:	FC(F)(F)c1cccc(F)c1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC
InChi:	InChI=1S/C23H22F4N6O2/c1-33-7-6-12-9-18(35-2)17(8-13(12)11-33)30-22-29-10-14(20(28)34)21(32-22)31-19-15(23(25,26)27)4-3-5-16(19)24/h3-5,8-10H,6-7,11H2,1-2H3,(H2,28,34)(H2,29,30,31,32)
Definition date:	2021-03-11
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide

YK4

YK4
Name:	4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
Formula:	C22 H23 Br N6 O2
SMILES:	Brc1ccccc1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC
InChi:	InChI=1S/C22H23BrN6O2/c1-29-8-7-13-10-19(31-2)18(9-14(13)12-29)27-22-25-11-15(20(24)30)21(28-22)26-17-6-4-3-5-16(17)23/h3-6,9-11H,7-8,12H2,1-2H3,(H2,24,30)(H2,25,26,27,28)
Definition date:	2021-03-11
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide

YK7

YK7
Name:	4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
Formula:	C22 H24 N6 O2
SMILES:	NC(=O)c1cnc(nc1Nc1ccccc1)Nc1cc2CN(C)CCc2cc1OC
InChi:	InChI=1S/C22H24N6O2/c1-28-9-8-14-11-19(30-2)18(10-15(14)13-28)26-22-24-12-17(20(23)29)21(27-22)25-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,23,29)(H2,24,25,26,27)
Definition date:	2021-03-11
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide

UKZ

UKZ
Name:	N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide
Formula:	C21 H23 Cl N2 O3
SMILES:	CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O)c3cccc(Cl)c3C
InChi:	InChI=1S/C21H23ClN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1
Synonyms:	~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
Definition date:	2021-03-01
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide

QEQ

QEQ
Name:	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol
Formula:	C13 H14 N8 O2
SMILES:	Oc1n(ncc1n2ccnn2)c3cc(ncn3)N4CCOCC4
InChi:	InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,22H,3-6H2
Synonyms:	1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol
Definition date:	2020-06-10
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol

OGB

OGB
Name:	methyl isoquinoline-5-carboxylate
Formula:	C11 H9 N O2
SMILES:	COC(=O)c1cccc2cnccc12
InChi:	InChI=1S/C11H9NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-7H,1H3
Definition date:	2020-03-04
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	methyl isoquinoline-5-carboxylate

TYG

TYG
Name:	8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Formula:	C15 H13 N3 O S
SMILES:	c1cc3c(c(C)c1)N=C(CSc2ccncc2)NC3=O
InChi:	InChI=1S/C15H13N3OS/c1-10-3-2-4-12-14(10)17-13(18-15(12)19)9-20-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H,17,18,19)
Definition date:	2020-04-02
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one

TZ7

TZ7
Name:	2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one
Formula:	C16 H20 N2 O2 S
SMILES:	c3cc2C(=O)NC(CSC1CCC(CC1)O)=Nc2c(C)c3
InChi:	InChI=1S/C16H20N2O2S/c1-10-3-2-4-13-15(10)17-14(18-16(13)20)9-21-12-7-5-11(19)6-8-12/h2-4,11-12,19H,5-9H2,1H3,(H,17,18,20)/t11-,12-
Definition date:	2020-04-02
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one

S2W

S2W
Name:	~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine
Formula:	C18 H17 F3 N4
SMILES:	C[CH](Nc1nc(C)nc2ccccc12)c3cc(N)cc(c3)C(F)(F)F
InChi:	InChI=1S/C18H17F3N4/c1-10(12-7-13(18(19,20)21)9-14(22)8-12)23-17-15-5-3-4-6-16(15)24-11(2)25-17/h3-10H,22H2,1-2H3,(H,23,24,25)/t10-/m1/s1
Definition date:	2020-11-06
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine

S2Z

S2Z
Name:	6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
Formula:	C19 H21 N3 O2
SMILES:	COc1cc2nc(C)nc(N[CH](C)c3ccccc3)c2cc1OC
InChi:	InChI=1S/C19H21N3O2/c1-12(14-8-6-5-7-9-14)20-19-15-10-17(23-3)18(24-4)11-16(15)21-13(2)22-19/h5-12H,1-4H3,(H,20,21,22)/t12-/m1/s1
Definition date:	2020-11-06
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine

S3Q

S3Q
Name:	6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
Formula:	C20 H20 F3 N3 O2
SMILES:	COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)C(F)(F)F)c2cc1OC
InChi:	InChI=1S/C20H20F3N3O2/c1-11(13-6-5-7-14(8-13)20(21,22)23)24-19-15-9-17(27-3)18(28-4)10-16(15)25-12(2)26-19/h5-11H,1-4H3,(H,24,25,26)/t11-/m1/s1
Definition date:	2020-11-06
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine

S3T

S3T
Name:	~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
Formula:	C19 H22 N4 O2
SMILES:	COc1cc2nc(C)nc(N[CH](C)c3cccc(N)c3)c2cc1OC
InChi:	InChI=1S/C19H22N4O2/c1-11(13-6-5-7-14(20)8-13)21-19-15-9-17(24-3)18(25-4)10-16(15)22-12(2)23-19/h5-11H,20H2,1-4H3,(H,21,22,23)/t11-/m1/s1
Definition date:	2020-11-06
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine

S3Z

S3Z
Name:	~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
Formula:	C20 H21 F3 N4 O2
SMILES:	COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1OC
InChi:	InChI=1S/C20H21F3N4O2/c1-10(12-5-13(20(21,22)23)7-14(24)6-12)25-19-15-8-17(28-3)18(29-4)9-16(15)26-11(2)27-19/h5-10H,24H2,1-4H3,(H,25,26,27)/t10-/m1/s1
Definition date:	2020-11-06
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine

SYW

SYW
Name:	(R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one
Formula:	C22 H22 N4 O5 S
SMILES:	C[CH]1CN(CCN1[S](=O)(=O)c2ccc3NC(=O)Oc3c2)C(=O)c4ccc5n(C)ccc5c4
InChi:	InChI=1S/C22H22N4O5S/c1-14-13-25(21(27)16-3-6-19-15(11-16)7-8-24(19)2)9-10-26(14)32(29,30)17-4-5-18-20(12-17)31-22(28)23-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,23,28)/t14-/m1/s1
Synonyms:	6-[(2~{R})-2-methyl-4-(1-methylindol-5-yl)carbonyl-piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one
Definition date:	2020-12-08
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	6-[(2~{R})-2-methyl-4-(1-methylindol-5-yl)carbonyl-piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one

XBA

XBA
Name:	7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one
Formula:	C19 H23 F N2 O3 S
SMILES:	C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)OCC4CC4)O
InChi:	InChI=1S/C19H23FN2O3S/c20-15-7-13(25-9-11-1-2-11)8-16-18(15)19(24)22-17(21-16)10-26-14-5-3-12(23)4-6-14/h7-8,11-12,14,23H,1-6,9-10H2,(H,21,22,24)/t12-,14-
Definition date:	2020-12-08
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one

R7N

R7N
Name:	4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
Formula:	C24 H27 F2 N5 O6 S
SMILES:	NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CC[S](=O)(=O)CCN4CCOCC4)cc13
InChi:	InChI=1S/C24H27F2N5O6S/c25-17-2-1-16(19(26)12-17)14-29-23(32)20-21(27)18-11-15(13-28-22(18)31(34)24(20)33)3-9-38(35,36)10-6-30-4-7-37-8-5-30/h1-2,11-13,34H,3-10,14,27H2,(H,29,32)
Synonyms:	INSTI XZ447
Definition date:	2020-09-17
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide

O7K

O7K
Name:	pyrazinoquinolinone
Formula:	C25 H23 Cl F2 N4 O3
SMILES:	CCC(=O)N1C[CH]2N(C[CH]1C)c3c(cnc4c(F)c(c(Cl)cc34)c5c(O)cccc5F)N(C)C2=O
InChi:	InChI=1S/C25H23ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h5-9,12,17,33H,4,10-11H2,1-3H3/t12-,17-/m1/s1
Synonyms:	(2R,4aR)-3-acryloyl-11-chloro-9-fluoro-10-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1',2':4,5]pyrazino[2,3-c]quinolin-5(6H)-one.
Definition date:	2020-02-18
Last modified:	2021-03-13
Release date:	2020-02-26

VL1

VL1
Name:	Gedatolisib
Formula:	C32 H41 N9 O4
SMILES:	C(N1CCC(N(C)C)CC1)(c6ccc(NC(Nc2ccc(cc2)c4nc(N3CCOCC3)nc(n4)N5CCOCC5)=O)cc6)=O
InChi:	InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
Synonyms:	N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea
Definition date:	2020-08-26
Last modified:	2021-03-13
Release date:	2021-03-17
Identifier:	N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea

V6A

V6A
Name:	selinexor, bound form
Formula:	C17 H13 F6 N7 O
SMILES:	c3n(CCC(NNc1cnccn1)=O)nc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n3
InChi:	InChI=1S/C17H13F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h2-3,5-9H,1,4H2,(H,25,27)(H,28,31)
Synonyms:	3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)propanehydrazide
Definition date:	2020-07-06
Last modified:	2021-03-13
Release date:	2021-01-27
Identifier:	3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)propanehydrazide

SQZ

SQZ
Name:	5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole
Formula:	C24 H16 F N5 O
SMILES:	C[CH](n1nnc2cnc3ccc(cc3c12)c4ccc5ocnc5c4)c6ccc(F)cc6
InChi:	InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1
Synonyms:	(S)-5-(1-(1-(4-fluorophenyl)ethyl)-1H-[1,2,3]triazolo[4,5-c]quinolin-8-yl)benzo[d]oxazole
Definition date:	2017-03-08
Last modified:	2021-03-13
Release date:	2017-08-16
Identifier:	5-[1-[(1~{S})-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole

RX8

RX8
Name:	1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Formula:	C17 H22 N4 O2
SMILES:	n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N
InChi:	InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)
Synonyms:	R848
Definition date:	2013-01-22
Last modified:	2021-03-13
Release date:	2013-04-03
Identifier:	1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

NUH

NUH
Name:	5-(3-methoxyphenyl)-1-methyl-pyridin-2-one
Formula:	C13 H13 N O2
SMILES:	COc1cccc(c1)C2=CN(C)C(=O)C=C2
InChi:	InChI=1S/C13H13NO2/c1-14-9-11(6-7-13(14)15)10-4-3-5-12(8-10)16-2/h3-9H,1-2H3
Synonyms:	5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Definition date:	2019-12-16
Last modified:	2021-03-13
Release date:	2020-01-15
Identifier:	5-(3-methoxyphenyl)-1-methyl-pyridin-2-one

TMJ

TMJ
Name:	N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Formula:	C15 H15 Cl N2 O2 S
SMILES:	Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNCC3
InChi:	InChI=1S/C15H15ClN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2
Synonyms:	7-(N-4-CHLOROPHENYL-AMINSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
Definition date:	2007-01-26
Last modified:	2021-03-13
Identifier:	N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

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