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6RJ

6RJ
Name:	4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide
Formula:	C19 H12 Cl N5 O3 S2
SMILES:	Clc1ccc(Oc2ccc(cc2C#N)[S](=O)(=O)Nc3sccn3)c(c1)c4c[nH]nc4
InChi:	InChI=1S/C19H12ClN5O3S2/c20-14-1-3-18(16(8-14)13-10-23-24-11-13)28-17-4-2-15(7-12(17)9-21)30(26,27)25-19-22-5-6-29-19/h1-8,10-11H,(H,22,25)(H,23,24)
Definition date:	2016-06-03
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide

7OS

7OS
Name:	(2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid
Formula:	C30 H35 F4 N O4
SMILES:	O(c5c(C(C)N4CCC(C3Oc2cc(C(C(C)C(O)=O)C1CC1)ccc2CC3)CC4)cc(cc5)F)C(F)(F)F
InChi:	InChI=1S/C30H35F4NO4/c1-17(29(36)37)28(21-4-5-21)22-6-3-19-7-9-25(38-27(19)15-22)20-11-13-35(14-12-20)18(2)24-16-23(31)8-10-26(24)39-30(32,33)34/h3,6,8,10,15-18,20-21,25,28H,4-5,7,9,11-14H2,1-2H3,(H,36,37)/t17-,18-,25+,28-/m0/s1
Definition date:	2016-11-28
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	(2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid

7TD

7TD
Name:	N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide
Formula:	C16 H21 N3 O4
SMILES:	C(C(NO)=O)(C(C)(C)N)NC(=O)c1ccc(OCC#CC)cc1
InChi:	InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1
Definition date:	2016-12-05
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide

82O

82O
Name:	(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide
Formula:	C28 H39 N5 O2
SMILES:	CC(C)C[CH]1C[CH](C1)c2nnc([CH]3CN(C[CH]3C(=O)Nc4ccc(C)cc4C)C(C)=O)n2C5CC5
InChi:	InChI=1S/C28H39N5O2/c1-16(2)10-20-12-21(13-20)26-30-31-27(33(26)22-7-8-22)23-14-32(19(5)34)15-24(23)28(35)29-25-9-6-17(3)11-18(25)4/h6,9,11,16,20-24H,7-8,10,12-15H2,1-5H3,(H,29,35)/t20-,21+,23-,24-/m0/s1
Definition date:	2017-03-27
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	(3~{R},4~{R})-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-~{N}-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide

8FS

8FS
Name:	1-ethynyl-2,4-difluorobenzene
Formula:	C8 H4 F2
SMILES:	Fc1cc(F)ccc1C#C
InChi:	InChI=1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
Definition date:	2017-02-02
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	1-ethynyl-2,4-difluorobenzene

8GS

8GS
Name:	2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
Formula:	C18 H17 N5 O
SMILES:	c4n(c(c3cccc(N2C(c1c(cccc1)C2)=O)n3)nn4)C(C)C
InChi:	InChI=1S/C18H17N5O/c1-12(2)23-11-19-21-17(23)15-8-5-9-16(20-15)22-10-13-6-3-4-7-14(13)18(22)24/h3-9,11-12H,10H2,1-2H3
Definition date:	2017-02-05
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one

8GV

8GV
Name:	6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
Formula:	C24 H28 N6 O3
SMILES:	n1cn(c(n1)c2cccc(n2)N5Cc3c(cc(cc3)OCC4CN(C)CCO4)C5=O)C(C)C
InChi:	InChI=1S/C24H28N6O3/c1-16(2)30-15-25-27-23(30)21-5-4-6-22(26-21)29-12-17-7-8-18(11-20(17)24(29)31)33-14-19-13-28(3)9-10-32-19/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3/t19-/m0/s1
Definition date:	2017-02-05
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one

8GY

8GY
Name:	2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one
Formula:	C21 H23 N5 O3
SMILES:	c1(OC(C)C)ccc4c(c1)C(N(c3cccc(c2n(cnn2)C(CO)C)n3)C4)=O
InChi:	InChI=1S/C21H23N5O3/c1-13(2)29-16-8-7-15-10-25(21(28)17(15)9-16)19-6-4-5-18(23-19)20-24-22-12-26(20)14(3)11-27/h4-9,12-14,27H,10-11H2,1-3H3/t14-/m1/s1
Definition date:	2017-02-05
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one

8MY

8MY
Name:	4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
Formula:	C15 H13 N7 O
SMILES:	c3(nc(Nc1ccc(C#N)cc1)nc(n2ccc(CO)n2)c3)N
InChi:	InChI=1S/C15H13N7O/c16-8-10-1-3-11(4-2-10)18-15-19-13(17)7-14(20-15)22-6-5-12(9-23)21-22/h1-7,23H,9H2,(H3,17,18,19,20)
Definition date:	2017-02-20
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile

OEY

OEY
Name:	CA-MN4-O6 CLUSTER
Formula:	Ca Mn4 O6
SMILES:	O1[Mn]O[O]23[Ca]O[Mn]2(O[Mn]1)O[Mn]3
InChi:	InChI=1S/Ca.4Mn.O2.4O/c
Definition date:	2017-01-04
Last modified:	2017-05-30
Release date:	2017-03-15

YY9

YY9
Name:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:	C31 H35 Cl2 N7 O4
SMILES:	COc1c(c(c(c(c1)OC)Cl)N2C(N(c4c(C2)cnc(Nc3ccccc3)n4)C5CCN(CC5)C(=O)C=[C@H]CN(C)C)=O)Cl
InChi:	InChI=1S/C31H35Cl2N7O4/c1-37(2)14-8-11-25(41)38-15-12-22(13-16-38)40-29-20(18-34-30(36-29)35-21-9-6-5-7-10-21)19-39(31(40)42)28-26(32)23(43-3)17-24(44-4)27(28)33/h5-11,17-18,22H,12-16,19H2,1-4H3,(H,34,35,36)
Definition date:	2017-02-09
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

KS3

KS3
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol
Formula:	C18 H19 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc4ccccc4c3
InChi:	InChI=1S/C18H19N3O5/c22-8-12-13(23)14(24)15(25)16(26-12)18-19-17(20-21-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-16,22-25H,8H2,(H,19,20,21)/t12-,13-,14+,15-,16-/m1/s1
Definition date:	2016-08-19
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol

8QE

8QE
Name:	4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide
Formula:	C17 H20 N6 O
SMILES:	CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
InChi:	InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
Definition date:	2017-02-24
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide

8QW

8QW
Name:	(2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
Formula:	C29 H26 F N5 O4 S
SMILES:	COc1cc(ccc1Nc2nn3cc(ccc3n2)c4ccc(NC(=O)[CH](C)c5ccc(F)cc5)cc4)[S](C)(=O)=O
InChi:	InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1
Definition date:	2017-02-27
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide

8QZ

8QZ
Name:	~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Formula:	C39 H53 N9 O7
SMILES:	CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c2ccn3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC)nc34
InChi:	InChI=1S/C39H53N9O7/c1-6-30-36(32(7-2)48(44-30)18-19-54-22-23-55-21-20-51-3)42-38(50)29-12-13-47-33(29)11-8-27-25-40-39(43-37(27)47)41-31-10-9-28(24-34(31)53-5)45-14-16-46(17-15-45)35(49)26-52-4/h9-10,12-13,24-25H,6-8,11,14-23,26H2,1-5H3,(H,42,50)(H,40,41,43)
Definition date:	2017-02-27
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide

8RH

8RH
Name:	BAY 1217389
Formula:	C27 H24 F5 N5 O3
SMILES:	COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(n3n2)c4ccc(c(C)c4)C(=O)NC5CC5)c(F)c1F
InChi:	InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)
Definition date:	2017-02-28
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	4-[6-[2,3-bis(fluoranyl)-4-methoxy-phenoxy]-8-[3,3,3-tris(fluoranyl)propylamino]imidazo[1,2-b]pyridazin-3-yl]-~{N}-cyclopropyl-2-methyl-benzamide

8WJ

8WJ
Name:	(2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide
Formula:	C22 H29 N3 O4 S2
SMILES:	N(c1sccn1)C(=O)C(CC2CCCCC2)N3C(C=C(C=C3)S(C4CCCC4)(=O)=O)=O
InChi:	InChI=1S/C22H29N3O4S2/c26-20-15-18(31(28,29)17-8-4-5-9-17)10-12-25(20)19(14-16-6-2-1-3-7-16)21(27)24-22-23-11-13-30-22/h10-13,15-17,19H,1-9,14H2,(H,23,24,27)/t19-/m0/s1
Definition date:	2017-03-13
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide

8WM

8WM
Name:	(2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
Formula:	C21 H23 F N4 O4 S2
SMILES:	c1(sc(F)cn1)NC(=O)C(CC2CCOCC2)n3c4c(cn3)c(ccc4)S(=O)(=O)C5CC5
InChi:	InChI=1S/C21H23FN4O4S2/c22-19-12-23-21(31-19)25-20(27)17(10-13-6-8-30-9-7-13)26-16-2-1-3-18(15(16)11-24-26)32(28,29)14-4-5-14/h1-3,11-14,17H,4-10H2,(H,23,25,27)/t17-/m0/s1
Definition date:	2017-03-13
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide

8Z2

8Z2
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-dodec-2-enethioate
Formula:	C33 H56 N7 O17 P3 S
SMILES:	CCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28+,32-/m1/s1
Definition date:	2017-03-28
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-dodec-2-enethioate

91Y

91Y
Name:	3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide
Formula:	C21 H24 N4 O2
SMILES:	N(c3c(C(=O)NC2Cc1c(cccc1)C2)nccn3)C(C4CCCCC4)=O
InChi:	InChI=1S/C21H24N4O2/c26-20(14-6-2-1-3-7-14)25-19-18(22-10-11-23-19)21(27)24-17-12-15-8-4-5-9-16(15)13-17/h4-5,8-11,14,17H,1-3,6-7,12-13H2,(H,24,27)(H,23,25,26)
Definition date:	2017-03-28
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide

9H8

9H8
Name:	1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide
Formula:	C6 H11 F3 N2 O2 S
SMILES:	FC(F)(F)[S](=O)(=O)NC[CH]1CCCN1
InChi:	InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-4-5-2-1-3-10-5/h5,10-11H,1-4H2/t5-/m0/s1
Definition date:	2017-05-18
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide

9HV

9HV
Name:	{2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid
Formula:	C14 H28 N O12 P
SMILES:	C1(N(CCP(O)(O)=O)C(CO)C(C1O)OC2C(O)C(C(C(CO)O2)O)O)CO
InChi:	InChI=1S/C14H28NO12P/c16-3-6-9(19)13(7(4-17)15(6)1-2-28(23,24)25)27-14-12(22)11(21)10(20)8(5-18)26-14/h6-14,16-22H,1-5H2,(H2,23,24,25)/t6-,7-,8-,9-,10-,11+,12-,13-,14-/m1/s1
Definition date:	2017-05-12
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	{2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid

9J4

9J4
Name:	4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
Formula:	C22 H27 N5 O
SMILES:	C1CC(C(C1(N)C)(C)C)Nc2c3n(ncc2C(N)=O)cc(c3)c4ccccc4
InChi:	InChI=1S/C22H27N5O/c1-21(2)18(9-10-22(21,3)24)26-19-16(20(23)28)12-25-27-13-15(11-17(19)27)14-7-5-4-6-8-14/h4-8,11-13,18,26H,9-10,24H2,1-3H3,(H2,23,28)/t18-,22+/m1/s1
Definition date:	2017-05-12
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

N66

N66
Name:	~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Formula:	C33 H39 N7 O2
SMILES:	CCc1cccc(CC)c1NC(=O)c2ccn3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(C)CC6)nc34
InChi:	InChI=1S/C33H39N7O2/c1-5-22-8-7-9-23(6-2)30(22)36-32(41)26-14-15-40-28(26)13-10-24-21-34-33(37-31(24)40)35-27-12-11-25(20-29(27)42-4)39-18-16-38(3)17-19-39/h7-9,11-12,14-15,20-21H,5-6,10,13,16-19H2,1-4H3,(H,36,41)(H,34,35,37)
Definition date:	2017-02-23
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide

5GI

5GI
Name:	~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C22 H25 F N4 O5
SMILES:	Cc1onc(c1)C(=O)N[CH](Cc2ccc(F)cc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O
InChi:	InChI=1S/C22H25FN4O5/c1-13-9-19(27-32-13)22(31)26-18(10-14-4-6-16(23)7-5-14)21(30)25-17(12-28)11-15-3-2-8-24-20(15)29/h4-7,9,12,15,17-18H,2-3,8,10-11H2,1H3,(H,24,29)(H,25,30)(H,26,31)/t15-,17-,18-/m0/s1
Definition date:	2016-08-25
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

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