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R2E

R2E
Name:	1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one
Formula:	C23 H23 Cl2 F N4 O3
SMILES:	CCC(=O)N1CCC(CC1)Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC
InChi:	InChI=1S/C23H23Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,28,29)
Synonyms:	Poziotinib, bound form
Definition date:	2020-08-26
Last modified:	2022-09-28
Release date:	2022-02-23
Identifier:	1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one

1IX

1IX
Name:	(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
Formula:	C24 H21 Cl F N5 O3
SMILES:	COc1ccc(nn1)[CH](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5
InChi:	InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
Synonyms:	Nedisertib
Definition date:	2021-06-11
Last modified:	2022-09-28
Release date:	2022-01-12
Identifier:	(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol

7LD

7LD
Name:	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
Formula:	C20 H25 N3 O
SMILES:	n1c4cccc2c4c(c1)CC3N(CC(C=C23)C(N(CC)CC)=O)C
InChi:	InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
Synonyms:	Lysergic acid diethylamide
Definition date:	2016-11-10
Last modified:	2022-09-27
Release date:	2017-02-01
Identifier:	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide

IMH

IMH
Name:	1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL
Formula:	C11 H14 N4 O4
SMILES:	OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O
InChi:	InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
Synonyms:	Forodesine
Definition date:	1999-07-08
Last modified:	2022-09-26
Identifier:	7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

NY0

NY0
Name:	1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
Formula:	C11 H12 N2 O2
SMILES:	CCC(=O)N1CC(=Nc2ccccc12)O
InChi:	InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
Synonyms:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
Definition date:	2022-08-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one

NYI

NYI
Name:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one
Formula:	C11 H10 N2 O2
SMILES:	C=CC(=O)N1CC(=O)Nc2ccccc12
InChi:	InChI=1S/C11H10N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h2-6H,1,7H2,(H,12,14)
Definition date:	2022-08-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one

KBO

KBO
Name:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Formula:	C28 H34 N4 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4cccnc34)c1
InChi:	InChI=1S/C28H34N4O2/c1-3-28(4-2,21-33)27(34)30-25-12-5-8-22(18-25)19-31-14-16-32(17-15-31)20-24-10-6-9-23-11-7-13-29-26(23)24/h5-13,18,21H,3-4,14-17,19-20H2,1-2H3,(H,30,34)
Definition date:	2022-05-23
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide

W96

W96
Name:	N-pyridin-4-ylisoquinolin-4-amine
Formula:	C14 H11 N3
SMILES:	N(c1ccncc1)c2cncc3ccccc23
InChi:	InChI=1S/C14H11N3/c1-2-4-13-11(3-1)9-16-10-14(13)17-12-5-7-15-8-6-12/h1-10H,(H,15,17)
Definition date:	2021-12-09
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-pyridin-4-ylisoquinolin-4-amine

KFC

KFC
Name:	~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide
Formula:	C22 H23 N3 O
SMILES:	Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4
InChi:	InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)
Definition date:	2022-05-25
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide

NB3

NB3
Name:	~{N}-[(1-methylindazol-3-yl)methyl]propanamide
Formula:	C12 H15 N3 O
SMILES:	CCC(=O)NCc1nn(C)c2ccccc12
InChi:	InChI=1S/C12H15N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,16)
Synonyms:	N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor)
Definition date:	2022-08-16
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-[(1-methylindazol-3-yl)methyl]propanamide

GIU

GIU
Name:	~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
Formula:	C13 H15 N3 O2 S
SMILES:	O=[S](=O)(N[CH]1CCNC1)c2cccc3cnccc23
InChi:	InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m0/s1
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide

I5G

I5G
Name:	1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide
Formula:	C23 H20 Cl2 N4 O3
SMILES:	COc1cc2c(Cl)nccc2cc1C(=O)N[CH]([CH]3C[CH](O)CN3)c4ccc(C#N)c(Cl)c4
InChi:	InChI=1S/C23H20Cl2N4O3/c1-32-20-9-16-12(4-5-27-22(16)25)6-17(20)23(31)29-21(19-8-15(30)11-28-19)13-2-3-14(10-26)18(24)7-13/h2-7,9,15,19,21,28,30H,8,11H2,1H3,(H,29,31)/t15-,19+,21-/m0/s1
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide

JRP

JRP
Name:	(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one
Formula:	C13 H13 N O2
SMILES:	O=C1Nc2ccccc2[C]34OCC[CH]3C[CH]14
InChi:	InChI=1S/C13H13NO2/c15-12-10-7-8-5-6-16-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13+/m1/s1
Synonyms:	(3aS,4aR,10bR)-3,3a,4,4a-tetrahydro-2H-furo[2',3':2,3]cyclobuta[1,2-c]quinolin-5(6H)-one
Definition date:	2022-05-09
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one

Q2C

Q2C
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[5-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]-1,3-thiazol-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C37 H49 N8 O16 P2 S
SMILES:	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cc(sc3)c3ccc4N(C)C(=O)C=C(NC5CCC(OCCOC)CC5)c4c3)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C37H48N8O16P2S/c1-43-24-8-3-19(11-22(24)23(12-28(43)46)42-20-4-6-21(7-5-20)56-10-9-55-2)27-13-44(18-64-27)36-32(49)30(47)25(59-36)14-57-62(51,52)61-63(53,54)58-15-26-31(48)33(50)37(60-26)45-17-41-29-34(38)39-16-40-35(29)45/h3,8,11-13,16-18,20-21,25-26,30-33,36-37,47-50H,4-7,9-10,14-15H2,1-2H3,(H4-,38,39,40,42,46,51,52,53,54)/p+1/t20-,21+,25-,26-,30-,31-,32-,33-,36-,37-/m1/s1
Definition date:	2022-05-31
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(5P)-3-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-5-(4-{[(1s,4S)-4-(2-methoxyethoxy)cyclohexyl]amino}-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)-1,3-thiazol-3-ium (non-preferred name)

0B8

0B8
Name:	2-pyren-1-yloxyethyl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate
Formula:	C37 H30 N2 O8
SMILES:	CN1C(=O)N(CC(=O)OCCOc2ccc3ccc4cccc5ccc2c3c45)C(=O)c6c(C)c(ccc16)C(=O)C7=C(O)CCCC7=O
InChi:	InChI=1S/C37H30N2O8/c1-20-24(35(43)34-27(40)7-4-8-28(34)41)14-15-26-31(20)36(44)39(37(45)38(26)2)19-30(42)47-18-17-46-29-16-12-23-10-9-21-5-3-6-22-11-13-25(29)33(23)32(21)22/h3,5-6,9-16,40H,4,7-8,17-19H2,1-2H3
Definition date:	2022-01-20
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	2-pyren-1-yloxyethyl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate

0I0

0I0
Name:	2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-N-(2-pyren-1-yloxyethyl)ethanamide
Formula:	C37 H31 N3 O7
SMILES:	CN1C(=O)N(CC(=O)NCCOc2ccc3ccc4cccc5ccc2c3c45)C(=O)c6c(C)c(ccc16)C(=O)C7=C(O)CCCC7=O
InChi:	InChI=1S/C37H31N3O7/c1-20-24(35(44)34-27(41)7-4-8-28(34)42)14-15-26-31(20)36(45)40(37(46)39(26)2)19-30(43)38-17-18-47-29-16-12-23-10-9-21-5-3-6-22-11-13-25(29)33(23)32(21)22/h3,5-6,9-16,41H,4,7-8,17-19H2,1-2H3,(H,38,43)
Definition date:	2022-01-20
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-~{N}-(2-pyren-1-yloxyethyl)ethanamide

7QW

7QW
Name:	6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one
Formula:	C20 H21 N3 O
SMILES:	N[CH]1CCN(C1)Cc2cccc(c2)c3ccc4c(O)nccc4c3
InChi:	InChI=1S/C20H21N3O/c21-18-7-9-23(13-18)12-14-2-1-3-15(10-14)16-4-5-19-17(11-16)6-8-22-20(19)24/h1-6,8,10-11,18H,7,9,12-13,21H2,(H,22,24)/t18-/m1/s1
Definition date:	2021-08-20
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	6-[3-[(3-azanylpyrrolidin-1-yl)methyl]phenyl]isoquinolin-1-ol

88H

88H
Name:	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine
Formula:	C23 H24 N4 O
SMILES:	Nc1ccc2CC=C(Cc2n1)OCc1cccc(CNCc2ccccn2)c1
InChi:	InChI=1S/C23H24N4O/c24-23-10-8-19-7-9-21(13-22(19)27-23)28-16-18-5-3-4-17(12-18)14-25-15-20-6-1-2-11-26-20/h1-6,8-12,25H,7,13-16H2,(H2,24,27)
Definition date:	2021-09-09
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine

7WK

7WK
Name:	foliosidine
Formula:	C16 H21 N O5
SMILES:	COC1=CC(=O)N(C)c2c(OC[CH](O)C(C)(C)O)cccc12
InChi:	InChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3/t13-/m1/s1
Synonyms:	4-methoxy-1-methyl-8-[(2~{R})-3-methyl-2,3-bis(oxidanyl)butoxy]quinolin-2-one
Definition date:	2021-09-09
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	4-methoxy-1-methyl-8-[(2~{R})-3-methyl-2,3-bis(oxidanyl)butoxy]quinolin-2-one

8ZF

8ZF
Name:	11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one
Formula:	C24 H27 F2 N5 O4
SMILES:	CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c5c(F)c(OC)cc(OC)c5F
InChi:	InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
Synonyms:	Pemigatinib
Definition date:	2021-12-28
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one

IF8

IF8
Name:	4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one
Formula:	C24 H25 Br N4 O
SMILES:	Brc1cccc2N3C(=NC(=O)c12)N(C4CCCC4)c5cc(ccc35)C6CCNCC6
InChi:	InChI=1S/C24H25BrN4O/c25-18-6-3-7-20-22(18)23(30)27-24-28(17-4-1-2-5-17)21-14-16(8-9-19(21)29(20)24)15-10-12-26-13-11-15/h3,6-9,14-15,17,26H,1-2,4-5,10-13H2
Definition date:	2022-03-16
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one

IFF

IFF
Name:	(2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C53 H62 Br F N8 O5 S
SMILES:	Cc1ncsc1c2ccc(cc2)[CH](CCCN3CCC(CC3)c4ccc5N6c7cccc(Br)c7C(=O)N=C6N(C8CCCC8)c5c4)NC(=O)[CH]9C[CH](O)CN9C(=O)[CH](NC(=O)C%10(F)CC%10)C(C)(C)C
InChi:	InChI=1S/C53H62BrFN8O5S/c1-31-45(69-30-56-31)34-16-14-33(15-17-34)39(57-47(65)43-28-37(64)29-61(43)49(67)46(52(2,3)4)58-50(68)53(55)22-23-53)12-8-24-60-25-20-32(21-26-60)35-18-19-40-42(27-35)62(36-9-5-6-10-36)51-59-48(66)44-38(54)11-7-13-41(44)63(40)51/h7,11,13-19,27,30,32,36-37,39,43,46,64H,5-6,8-10,12,20-26,28-29H2,1-4H3,(H,57,65)(H,58,68)/t37-,39+,43+,46-/m1/s1
Definition date:	2022-03-16
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	(2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

IFJ

IFJ
Name:	(2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C56 H70 Br N9 O6 S
SMILES:	C[CH](CN1CCC(CC1)c2ccc3N4c5cccc(Br)c5C(=O)N=C4N(C6CCCC6)c3c2)OC[CH](NC(=O)[CH]7C[CH](O)CN7C(=O)[CH](NC(=O)C8(CC8)N(C)C)C(C)(C)C)c9ccc(cc9)c%10scnc%10C
InChi:	InChI=1S/C56H70BrN9O6S/c1-33(29-63-25-21-35(22-26-63)38-19-20-43-45(27-38)65(39-11-8-9-12-39)54-61-51(69)47-41(57)13-10-14-44(47)66(43)54)72-31-42(36-15-17-37(18-16-36)48-34(2)58-32-73-48)59-50(68)46-28-40(67)30-64(46)52(70)49(55(3,4)5)60-53(71)56(23-24-56)62(6)7/h10,13-20,27,32-33,35,39-40,42,46,49,67H,8-9,11-12,21-26,28-31H2,1-7H3,(H,59,68)(H,60,71)/t33-,40-,42+,46+,49-/m1/s1
Definition date:	2022-03-16
Last modified:	2022-09-09
Release date:	2022-09-14
Identifier:	(2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

UY0

UY0
Name:	N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
Formula:	C27 H35 Cl N6 O3 S
SMILES:	CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(OCCN2CCCC2)cc1
InChi:	InChI=1S/C27H35ClN6O3S/c1-19-18-29-26(31-20-7-10-22(11-8-20)37-16-15-34-13-5-6-14-34)32-25(19)30-21-9-12-23(28)24(17-21)33-38(35,36)27(2,3)4/h7-12,17-18,33H,5-6,13-16H2,1-4H3,(H2,29,30,31,32)
Definition date:	2022-08-29
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide

U5I

U5I
Name:	(5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid
Formula:	C52 H48 N4 O8
SMILES:	O=C(O)c1cc(cc(c1)NCc1ccccc1OCCOCCOCCOc1ccccc1CNc1cc(cc(c1)c1ccnc2CC=CCc12)C(=O)O)c1ccnc2ccccc21
InChi:	InChI=1S/C52H48N4O8/c57-51(58)39-27-37(43-17-19-53-47-13-5-3-11-45(43)47)29-41(31-39)55-33-35-9-1-7-15-49(35)63-25-23-61-21-22-62-24-26-64-50-16-8-2-10-36(50)34-56-42-30-38(28-40(32-42)52(59)60)44-18-20-54-48-14-6-4-12-46(44)48/h1-11,13,15-20,27-32,55-56H,12,14,21-26,33-34H2,(H,57,58)(H,59,60)
Definition date:	2022-08-05
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid

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