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5JL

5JL
Name:	2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one
Formula:	C5 H4 N4 O S2
SMILES:	C2=1NC(NC=1C(NC(N2)=S)=O)=S
InChi:	InChI=1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
Definition date:	2015-10-02
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one

5JQ

5JQ
Name:	2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione
Formula:	C5 H4 N4 O2 S
SMILES:	C2=1NC(NC=1C(NC(N2)=S)=O)=O
InChi:	InChI=1S/C5H4N4O2S/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
Definition date:	2015-10-03
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione

5QX

5QX
Name:	1-methyl-3,4-dihydroquinoxalin-2-one
Formula:	C9 H10 N2 O
SMILES:	CN1C(=O)CNc2ccccc12
InChi:	InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3
Definition date:	2015-11-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1-methyl-3,4-dihydroquinoxalin-2-one

5QY

5QY
Name:	(3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one
Formula:	C9 H10 N2 O
SMILES:	C[CH]1Nc2ccccc2NC1=O
InChi:	InChI=1S/C9H10N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6,10H,1H3,(H,11,12)/t6-/m0/s1
Definition date:	2015-11-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one

5RN

5RN
Name:	1-(1~{H}-indol-3-yl)ethanone
Formula:	C10 H9 N O
SMILES:	CC(=O)c1c[nH]c2ccccc12
InChi:	InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
Definition date:	2015-11-18
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1-(1~{H}-indol-3-yl)ethanone

5RO

5RO
Name:	1-(7-methyl-1~{H}-indol-3-yl)ethanone
Formula:	C11 H11 N O
SMILES:	CC(=O)c1c[nH]c2c(C)cccc12
InChi:	InChI=1S/C11H11NO/c1-7-4-3-5-9-10(8(2)13)6-12-11(7)9/h3-6,12H,1-2H3
Definition date:	2015-11-18
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1-(7-methyl-1~{H}-indol-3-yl)ethanone

5SH

5SH
Name:	4-phenylpyridine
Formula:	C11 H9 N
SMILES:	c1ccc(cc1)c2ccncc2
InChi:	InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
Definition date:	2015-11-21
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	4-phenylpyridine

5SJ

5SJ
Name:	ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate
Formula:	C12 H14 N2 O3
SMILES:	CCOC(=O)c1ccc2N[CH](C)C(=O)Nc2c1
InChi:	InChI=1S/C12H14N2O3/c1-3-17-12(16)8-4-5-9-10(6-8)14-11(15)7(2)13-9/h4-7,13H,3H2,1-2H3,(H,14,15)/t7-/m1/s1
Definition date:	2015-11-21
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate

FNX

FNX
Name:	(4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde
Formula:	C15 H16 N6 O2
SMILES:	O=CN1C3C(NCC1[C@H]=Nc2ccc(cc2)C)=NC(=NC3=O)N
InChi:	InChI=1S/C15H16N6O2/c1-9-2-4-10(5-3-9)17-6-11-7-18-13-12(21(11)8-22)14(23)20-15(16)19-13/h2-6,8,11-12H,7H2,1H3,(H3,16,18,19,20,23)/b17-6+/t11-,12+/m1/s1
Definition date:	2016-04-06
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde

G3N

G3N
Name:	(2R,3R,4S,5S)-5-amino-3,4-dihydroxytetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Formula:	C14 H23 N3 O15 P2
SMILES:	OP(OP(OCC1C(O)C(C(O1)N2C(NC(C=C2)=O)=O)O)(O)=O)(=O)OC3C(C(C(CO3)N)O)O
InChi:	InChI=1S/C14H23N3O15P2/c15-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,24,25)(H,26,27)(H,16,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1
Definition date:	2016-04-06
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2R,3R,4S,5S)-5-amino-3,4-dihydroxytetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

45Q

45Q
Name:	N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Formula:	C23 H28 N6 O
SMILES:	c2(nnc(c1cc(c(N)cc1)C)c2)NC(c3ccc(cc3)CN4CCN(CC4)C)=O
InChi:	InChI=1S/C23H28N6O/c1-16-13-19(7-8-20(16)24)21-14-22(27-26-21)25-23(30)18-5-3-17(4-6-18)15-29-11-9-28(2)10-12-29/h3-8,13-14H,9-12,15,24H2,1-2H3,(H2,25,26,27,30)
Definition date:	2016-03-24
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

729

729
Name:	N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Formula:	C31 H38 N8 O3
SMILES:	c4(c(cc(c3nnc(NC(c2ccc(CN1CCN(CC1)C)cc2)=O)c3)cc4)C)NC(Nc5noc(c5)C(C)(C)C)=O
InChi:	InChI=1S/C31H38N8O3/c1-20-16-23(10-11-24(20)32-30(41)34-28-18-26(42-37-28)31(2,3)4)25-17-27(36-35-25)33-29(40)22-8-6-21(7-9-22)19-39-14-12-38(5)13-15-39/h6-11,16-18H,12-15,19H2,1-5H3,(H2,32,34,37,41)(H2,33,35,36,40)
Definition date:	2016-03-24
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

50P

50P
Name:	7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:	C16 H14 N4 O
SMILES:	C2(C(C)C)=C(c1ccccc1)Nc3n(C2=O)ncc3C#N
InChi:	InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
Definition date:	2015-07-08
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

34Y

34Y
Name:	4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide
Formula:	C30 H36 N8 O3
SMILES:	C(c5onc(NC(Nc1ccc(cc1C)c4cc(NC(=O)c2ccc(cc2)CN3CCN(CC3)C)nn4)=O)c5)(C)C
InChi:	InChI=1S/C30H36N8O3/c1-19(2)26-17-28(36-41-26)33-30(40)31-24-10-9-23(15-20(24)3)25-16-27(35-34-25)32-29(39)22-7-5-21(6-8-22)18-38-13-11-37(4)12-14-38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39)
Definition date:	2016-03-24
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide

6EE

6EE
Name:	(betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide
Formula:	C30 H30 Cl F6 N5 O4
SMILES:	C1NC(COC1CCc2c(cncc2NC(=O)C(C(c3ccc(cc3)Cl)c4cc(cc(c4)F)F)N)F)COC(=O)NCC(F)(F)F
InChi:	InChI=1S/C30H30ClF6N5O4/c31-18-3-1-16(2-4-18)26(17-7-19(32)9-20(33)8-17)27(38)28(43)42-25-12-39-11-24(34)23(25)6-5-22-10-40-21(13-45-22)14-46-29(44)41-15-30(35,36)37/h1-4,7-9,11-12,21-22,26-27,40H,5-6,10,13-15,38H2,(H,41,44)(H,42,43)/t21-,22+,26-,27-/m0/s1
Definition date:	2016-03-22
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	(betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide

6EF

6EF
Name:	N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Formula:	C38 H42 N4 O6
SMILES:	C(OC)(NC(C(=O)Nc3c(CCC1CNC(CO1)COC(=O)NCc2ccccc2)cccc3)C(c4ccccc4)c5ccccc5)=O
InChi:	InChI=1S/C38H42N4O6/c1-46-38(45)42-35(34(29-16-7-3-8-17-29)30-18-9-4-10-19-30)36(43)41-33-20-12-11-15-28(33)21-22-32-24-39-31(25-47-32)26-48-37(44)40-23-27-13-5-2-6-14-27/h2-20,31-32,34-35,39H,21-26H2,1H3,(H,40,44)(H,41,43)(H,42,45)/t31-,32+,35-/m0/s1
Definition date:	2016-03-22
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide

6EG

6EG
Name:	N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Formula:	C34 H38 N4 O4
SMILES:	C(CC(NCc1ccc(cc1)N)CO)c2ccccc2NC(=O)C(NC(=O)OC)C(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C34H38N4O4/c1-42-34(41)38-32(31(26-11-4-2-5-12-26)27-13-6-3-7-14-27)33(40)37-30-15-9-8-10-25(30)18-21-29(23-39)36-22-24-16-19-28(35)20-17-24/h2-17,19-20,29,31-32,36,39H,18,21-23,35H2,1H3,(H,37,40)(H,38,41)/t29-,32-/m0/s1
Definition date:	2016-03-22
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide

6EH

6EH
Name:	Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide
Formula:	C24 H31 N3 O4
SMILES:	C3NCC(CCCNC(=O)C(C(c1ccccc1)c2ccccc2)NC(OC)=O)OC3
InChi:	InChI=1S/C24H31N3O4/c1-30-24(29)27-22(23(28)26-14-8-13-20-17-25-15-16-31-20)21(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20-22,25H,8,13-17H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m1/s1
Definition date:	2016-03-22
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide

6GD

6GD
Name:	6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine
Formula:	C20 H19 F N4 O2 S
SMILES:	c3cc(cc4c(Nc1c2c(nn1)ccc(F)c2)ccnc34)S(C(C)(C)C)(=O)=O
InChi:	InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
Definition date:	2016-04-06
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine

6GE

6GE
Name:	4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol
Formula:	C17 H16 N2 O3 S
SMILES:	N(c2c1cc(ccc1ncc2)S(C)(=O)=O)c3cc(ccc3C)O
InChi:	InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
Definition date:	2016-04-06
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol

6LP

6LP
Name:	N~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine
Formula:	C17 H17 Cl N6
SMILES:	c1(nc(ncc1)Nc2cc(ccc2)Cl)c3cc(ncc3)NCCN
InChi:	InChI=1S/C17H17ClN6/c18-13-2-1-3-14(11-13)23-17-22-8-5-15(24-17)12-4-7-20-16(10-12)21-9-6-19/h1-5,7-8,10-11H,6,9,19H2,(H,20,21)(H,22,23,24)
Definition date:	2016-05-02
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	N~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine

5WM

5WM
Name:	1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene
Formula:	C9 H10 N2 O4 S2
SMILES:	N[S](=O)(=O)NCC1=C[S](=O)(=O)c2ccccc12
InChi:	InChI=1S/C9H10N2O4S2/c10-17(14,15)11-5-7-6-16(12,13)9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,14,15)
Definition date:	2015-12-16
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene

5Y5

5Y5
Name:	2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:	C18 H18 Br F2 N5
SMILES:	Cc1cc(N[CH]2CCc3ccc(Br)cc3C2)n4nc(nc4n1)C(C)(F)F
InChi:	InChI=1S/C18H18BrF2N5/c1-10-7-15(26-17(22-10)24-16(25-26)18(2,20)21)23-14-6-4-11-3-5-13(19)8-12(11)9-14/h3,5,7-8,14,23H,4,6,9H2,1-2H3/t14-/m0/s1
Definition date:	2016-01-04
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

64N

64N
Name:	5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide
Formula:	C22 H18 Cl2 N2 O4
SMILES:	c3c(ccc(c1cc(ccc1O)Oc2c(cc(NC(=O)CC)cc2Cl)Cl)c3)C(N)=O
InChi:	InChI=1S/C22H18Cl2N2O4/c1-2-20(28)26-14-9-17(23)21(18(24)10-14)30-15-7-8-19(27)16(11-15)12-3-5-13(6-4-12)22(25)29/h3-11,27H,2H2,1H3,(H2,25,29)(H,26,28)
Definition date:	2016-01-25
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide

64O

64O
Name:	N-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide
Formula:	C22 H19 Cl2 N3 O4
SMILES:	O=C(N)Nc3ccc(c2cc(Oc1c(cc(NC(=O)CC)cc1Cl)Cl)ccc2O)cc3
InChi:	InChI=1S/C22H19Cl2N3O4/c1-2-20(29)26-14-9-17(23)21(18(24)10-14)31-15-7-8-19(28)16(11-15)12-3-5-13(6-4-12)27-22(25)30/h3-11,28H,2H2,1H3,(H,26,29)(H3,25,27,30)
Definition date:	2016-01-25
Last modified:	2016-05-13
Release date:	2016-05-18
Identifier:	N-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide

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