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68Q

68Q
Name:	3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid
Formula:	C14 H10 Cl2 N2 O3
SMILES:	OC(=O)c1cccc(c1)NC(=O)Nc2cc(Cl)c(cc2)Cl
InChi:	InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
Definition date:	2016-02-17
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid

68V

68V
Name:	3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid
Formula:	C14 H11 Br N2 O3
SMILES:	O=C(c1cc(ccc1)NC(Nc2ccc(Br)cc2)=O)O
InChi:	InChI=1S/C14H11BrN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)
Definition date:	2016-02-18
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid

68W

68W
Name:	3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid
Formula:	C20 H16 N2 O3
SMILES:	O=C(O)c1cc(ccc1)NC(Nc2cc(ccc2)c3ccccc3)=O
InChi:	InChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25)
Definition date:	2016-02-18
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid

6CK

6CK
Name:	[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
Formula:	C16 H22 F3 N5 O15 P2
SMILES:	NC4=Nc3n(C1C(C(C(O1)COP(=O)(O)OP(O)(=O)OC2C(C(C(C(O2)C(F)(F)F)O)O)O)O)O)cnc3C(=O)N4
InChi:	InChI=1S/C16H22F3N5O15P2/c17-16(18,19)10-7(27)6(26)9(29)14(37-10)38-41(33,34)39-40(31,32)35-1-3-5(25)8(28)13(36-3)24-2-21-4-11(24)22-15(20)23-12(4)30/h2-3,5-10,13-14,25-29H,1H2,(H,31,32)(H,33,34)(H3,20,22,23,30)/t3-,5-,6-,7+,8-,9+,10-,13-,14-/m1/s1
Definition date:	2016-03-11
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

6DO

6DO
Name:	(2~{S})-2-[[(2~{R},3~{R})-3-methoxy-3-[(2~{S})-1-[(3~{R},4~{S},5~{S})-3-methoxy-5-methyl-4-[methyl-[(2~{S})-3-methyl-2-[[(2~{S})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid
Formula:	C39 H65 N5 O8
SMILES:	CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O)OC)N(C)C(=O)[CH](NC(=O)[CH](NC)C(C)C)C(C)C
InChi:	InChI=1S/C39H65N5O8/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50)/t25-,26+,28-,29-,30+,32-,33-,34-,35+/m0/s1
Definition date:	2016-03-30
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	(2~{S})-2-[[(2~{R},3~{R})-3-methoxy-3-[(2~{S})-1-[(3~{R},4~{S},5~{S})-3-methoxy-5-methyl-4-[methyl-[(2~{S})-3-methyl-2-[[(2~{S})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid

6EC

6EC
Name:	5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
Formula:	C20 H16 N2 O4
SMILES:	OC(c1c(O)ccc(c1)NC(=O)Nc2cccc(c2)c3ccccc3)=O
InChi:	InChI=1S/C20H16N2O4/c23-18-10-9-16(12-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26)
Definition date:	2016-03-22
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid

6EQ

6EQ
Name:	4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
Formula:	C20 H16 N2 O4
SMILES:	c1c(O)c(C(O)=O)ccc1NC(=O)Nc2cccc(c2)c3ccccc3
InChi:	InChI=1S/C20H16N2O4/c23-18-12-16(9-10-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26)
Definition date:	2016-03-23
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid

58B

58B
Name:	L-alanyl-D-alpha-glutamine
Formula:	C8 H15 N3 O4
SMILES:	C(C(NC(C(N)C)=O)C(N)=O)CC(O)=O
InChi:	InChI=1S/C8H15N3O4/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13)/t4-,5+/m0/s1
Definition date:	2015-08-20
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	L-alanyl-D-alpha-glutamine

58C

58C
Name:	cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol
Formula:	C21 H21 N5 O2
SMILES:	c12cccc(c1nc(nc2)Nc4ccc3c(ncn3)c4)OC5CCC(CC5)O
InChi:	InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)/t15-,16+
Definition date:	2015-08-20
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol

6V7

6V7
Name:	[(1~{R})-3-methyl-1-[[(2~{S},3~{S})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid
Formula:	C21 H28 B N3 O5
SMILES:	CC(C)C[CH](NC(=O)[CH](NC(=O)c1cccc(n1)c2ccccc2)[CH](C)O)B(O)O
InChi:	InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18-,19-/m0/s1
Definition date:	2016-07-01
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	[(1~{R})-3-methyl-1-[[(2~{S},3~{S})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid

6V8

6V8
Name:	[(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid
Formula:	C14 H19 B Cl2 N2 O4
SMILES:	CC(C)C[CH](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
InChi:	InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
Definition date:	2016-07-01
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	[(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid

6VT

6VT
Name:	6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{H}-indole-3-carboxylic acid
Formula:	C19 H16 Cl N O3
SMILES:	OC(=O)c1c[nH]c2cc(Cl)c(cc12)c3ccc(cc3)C4(O)CCC4
InChi:	InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
Definition date:	2016-07-06
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{H}-indole-3-carboxylic acid

6X9

6X9
Name:	6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:	C11 H12 N4 O
SMILES:	CCC1=C(C)Nc2n(nc(C)c2C#N)C1=O
InChi:	InChI=1S/C11H12N4O/c1-4-8-6(2)13-10-9(5-12)7(3)14-15(10)11(8)16/h13H,4H2,1-3H3
Definition date:	2016-07-12
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6YD

6YD
Name:	~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
Formula:	C15 H15 N7 O2
SMILES:	Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(C)nc3C(N)=O
InChi:	InChI=1S/C15H15N7O2/c1-21-7-9(6-17-21)10-4-3-5-11(18-10)15(24)19-12-8-22(2)20-13(12)14(16)23/h3-8H,1-2H3,(H2,16,23)(H,19,24)
Definition date:	2016-07-26
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

6YE

6YE
Name:	~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C16 H19 N9 O2
SMILES:	Cn1cc(NC(=O)c2cnn3ccc(nc23)N4CCNCC4)c(n1)C(N)=O
InChi:	InChI=1S/C16H19N9O2/c1-23-9-11(13(22-23)14(17)26)20-16(27)10-8-19-25-5-2-12(21-15(10)25)24-6-3-18-4-7-24/h2,5,8-9,18H,3-4,6-7H2,1H3,(H2,17,26)(H,20,27)
Definition date:	2016-07-26
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6YL

6YL
Name:	2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide
Formula:	C21 H24 F N5 O2
SMILES:	C[CH](Oc1cc(cnc1N)c2cn(C)nc2C)c3cc(F)ccc3C(=O)N(C)C
InChi:	InChI=1S/C21H24FN5O2/c1-12-18(11-27(5)25-12)14-8-19(20(23)24-10-14)29-13(2)17-9-15(22)6-7-16(17)21(28)26(3)4/h6-11,13H,1-5H3,(H2,23,24)/t13-/m1/s1
Definition date:	2016-07-26
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide

97M

97M
Name:	(2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate
Formula:	C19 H36 O4
SMILES:	CCCCCC[C@H]=[C@H]CCCCCCCC(=O)OCC(CO)O
InChi:	InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m1/s1
Definition date:	2015-08-21
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	(2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate

97N

97N
Name:	(2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate
Formula:	C19 H36 O4
SMILES:	CCCCCCC=C/CCCCCCCC(=O)OCC(O)CO
InChi:	InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m0/s1
Definition date:	2015-08-21
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	(2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate

56O

56O
Name:	N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine
Formula:	C30 H32 Cl N5 O10
SMILES:	c2cc(c1cc(CC(C(NC(C(NC(CCC(O)=O)C(=O)N)=O)CCC(O)=O)=O)CC(NO)=O)on1)ccc2c3cccc(c3)Cl
InChi:	InChI=1S/C30H32ClN5O10/c31-20-3-1-2-18(12-20)16-4-6-17(7-5-16)24-15-21(46-36-24)13-19(14-25(37)35-45)29(43)34-23(9-11-27(40)41)30(44)33-22(28(32)42)8-10-26(38)39/h1-7,12,15,19,22-23,45H,8-11,13-14H2,(H2,32,42)(H,33,44)(H,34,43)(H,35,37)(H,38,39)(H,40,41)/t19-,22+,23+/m1/s1
Definition date:	2015-08-05
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine

CC6

CC6
Name:	3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula:	C15 H10 O6
SMILES:	OC=2C(=O)c1c(O)cc(cc1OC=2c3ccccc3O)O
InChi:	InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H
Definition date:	2016-04-16
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one

6HJ

6HJ
Name:	(R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
Formula:	C22 H23 N7 O
SMILES:	c12ncnc(c1c(nn2C3CN(C(/C=C)=O)CCC3)c5c4ccccc4n(c5)C)N
InChi:	InChI=1S/C22H23N7O/c1-3-18(30)28-10-6-7-14(11-28)29-22-19(21(23)24-13-25-22)20(26-29)16-12-27(2)17-9-5-4-8-15(16)17/h3-5,8-9,12-14H,1,6-7,10-11H2,2H3,(H2,23,24,25)/t14-/m1/s1
Definition date:	2016-04-12
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	1-{(3R)-3-[4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one

6HL

6HL
Name:	(R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
Formula:	C23 H22 N6 O
SMILES:	c12ncnc(c1c(nn2C3CN(C([C@H]=C)=O)CCC3)c5c4ccccc4ccc5)N
InChi:	InChI=1S/C23H22N6O/c1-2-19(30)28-12-6-9-16(13-28)29-23-20(22(24)25-14-26-23)21(27-29)18-11-5-8-15-7-3-4-10-17(15)18/h2-5,7-8,10-11,14,16H,1,6,9,12-13H2,(H2,24,25,26)/t16-/m1/s1
Definition date:	2016-04-12
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	1-{(3R)-3-[4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one

6JM

6JM
Name:	2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one
Formula:	C15 H10 O6
SMILES:	c1c(O)c(O)ccc1C=3Oc2ccc(O)cc2C(C=3O)=O
InChi:	InChI=1S/C15H10O6/c16-8-2-4-12-9(6-8)13(19)14(20)15(21-12)7-1-3-10(17)11(18)5-7/h1-6,16-18,20H
Definition date:	2016-04-15
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one

6JO

6JO
Name:	3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula:	C15 H10 O5
SMILES:	c1c(cccc1C=3Oc2ccc(O)cc2C(C=3O)=O)O
InChi:	InChI=1S/C15H10O5/c16-9-3-1-2-8(6-9)15-14(19)13(18)11-7-10(17)4-5-12(11)20-15/h1-7,16-17,19H
Definition date:	2016-04-18
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one

6JP

6JP
Name:	(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
Formula:	C16 H14 O6
SMILES:	C1C(Oc2c(C1=O)c(cc(O)c2)O)c3ccc(c(c3)O)OC
InChi:	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
Definition date:	2016-04-18
Last modified:	2016-08-12
Release date:	2016-08-17
Identifier:	(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

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