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NLZ

NLZ
Name:	2,4-bis(oxidanyl)benzamide
Formula:	C7 H7 N O3
SMILES:	NC(=O)c1ccc(O)cc1O
InChi:	InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2,4-bis(oxidanyl)benzamide

NMW

NMW
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m1/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

NN8

NN8
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

S7V

S7V
Name:	[(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol
Formula:	C12 H17 N O2
SMILES:	c1(ccccc1)CN2CCOC(CO)C2
InChi:	InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
Definition date:	2020-03-05
Last modified:	2020-10-09
Release date:	2020-04-15
Identifier:	[(2R)-4-benzylmorpholin-2-yl]methanol

7GD

7GD
Name:	7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C12 H11 N5
SMILES:	c1c(cccc1)Cc2cc(nc3c2nnn3)N
InChi:	InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
Definition date:	2016-10-19
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

MJ2

MJ2
Name:	3,5-dimethylbenzenesulfonamide
Formula:	C8 H11 N O2 S
SMILES:	Cc1cc(C)cc(c1)[S](N)(=O)=O
InChi:	InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
Definition date:	2019-10-15
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3,5-dimethylbenzenesulfonamide

MJT

MJT
Name:	anthracene-9-sulfonamide
Formula:	C14 H11 N O2 S
SMILES:	N[S](=O)(=O)c1c2ccccc2cc3ccccc13
InChi:	InChI=1S/C14H11NO2S/c15-18(16,17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H2,15,16,17)
Definition date:	2019-10-16
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	anthracene-9-sulfonamide

MKQ

MKQ
Name:	3,5-diphenylbenzenesulfonamide
Formula:	C18 H15 N O2 S
SMILES:	N[S](=O)(=O)c1cc(cc(c1)c2ccccc2)c3ccccc3
InChi:	InChI=1S/C18H15NO2S/c19-22(20,21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H,(H2,19,20,21)
Definition date:	2019-10-17
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3,5-diphenylbenzenesulfonamide

MUE

MUE
Name:	naphthalene-2-sulfonamide
Formula:	C10 H9 N O2 S
SMILES:	N[S](=O)(=O)c1ccc2ccccc2c1
InChi:	InChI=1S/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)
Definition date:	2019-10-24
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	naphthalene-2-sulfonamide

F56

F56
Name:	3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one
Formula:	C15 H21 N O3
SMILES:	CC=CC[CH](C)C[CH](C)C(=O)C1=C(O)C=CNC1=O
InChi:	InChI=1S/C15H21NO3/c1-4-5-6-10(2)9-11(3)14(18)13-12(17)7-8-16-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,17,19)/b5-4+/t10-,11-/m0/s1
Definition date:	2020-03-31
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3-[(~{E},2~{S},4~{S})-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1~{H}-pyridin-2-one

F5F

F5F
Name:	3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one
Formula:	C15 H21 N O2
SMILES:	C[CH]1C[CH](C)[CH]([CH](C1)C=C)C2=C(O)C=CNC2=O
InChi:	InChI=1S/C15H21NO2/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16-15(14)18/h4-6,9-11,13H,1,7-8H2,2-3H3,(H2,16,17,18)/t9-,10+,11-,13-/m1/s1
Definition date:	2020-03-31
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3-[(1~{R},2~{S},4~{R},6~{S})-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1~{H}-pyridin-2-one

U27

U27
Name:	2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C24 H23 N7 O3 S2
SMILES:	C5C(Oc1sc(nn1)NC(Cc2ccccc2)=O)CN(c4nnc(NC(Cc3ccccc3)=O)s4)C5
InChi:	InChI=1S/C24H23N7O3S2/c32-19(13-16-7-3-1-4-8-16)25-21-27-29-23(35-21)31-12-11-18(15-31)34-24-30-28-22(36-24)26-20(33)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,27,32)(H,26,28,33)/t18-/m1/s1
Definition date:	2019-10-10
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide

UEY

UEY
Name:	7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C19 H17 N5
SMILES:	c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3)c4
InChi:	InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1
Definition date:	2020-05-14
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

UF7

UF7
Name:	7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C29 H28 N6
SMILES:	C3C(c1ccccc1)c2ccccc2C3NCCC(c4ccccc4)c5cc(N)nc6c5nnn6
InChi:	InChI=1S/C29H28N6/c30-27-18-25(28-29(32-27)34-35-33-28)21(19-9-3-1-4-10-19)15-16-31-26-17-24(20-11-5-2-6-12-20)22-13-7-8-14-23(22)26/h1-14,18,21,24,26,31H,15-17H2,(H3,30,32,33,34,35)/t21-,24+,26+/m1/s1
Definition date:	2020-05-14
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

UFA

UFA
Name:	7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C26 H30 N6
SMILES:	c1ccc(cc1)C(c3cc(nc2c3nnn2)N)CCNC4CCC(CC4)c5ccccc5
InChi:	InChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19-,21-,22-/m1/s1
Definition date:	2020-05-14
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

UFD

UFD
Name:	7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C28 H32 N6
SMILES:	c1cccc(c1)C(c3cc(nc2nnnc23)N)CCNC64CCC(CC4)(c5ccccc5)CC6
InChi:	InChI=1S/C28H32N6/c29-24-19-23(25-26(31-24)33-34-32-25)22(20-7-3-1-4-8-20)11-18-30-28-15-12-27(13-16-28,14-17-28)21-9-5-2-6-10-21/h1-10,19,22,30H,11-18H2,(H3,29,31,32,33,34)/t22-,27-,28+/m1/s1
Definition date:	2020-05-14
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

OHZ

OHZ
Name:	1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
Formula:	C16 H14 Cl F3 N2 O3
SMILES:	OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2
InChi:	InChI=1S/C16H14ClF3N2O3/c17-11-7-12(9-13(8-11)25-16(18,19)20)21-15(24)22-14-4-2-1-3-10(14)5-6-23/h1-4,7-9,23H,5-6H2,(H2,21,22,24)
Synonyms:	1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
Definition date:	2020-03-13
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea

V9D

V9D
Name:	N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide
Formula:	C8 H8 N2 O4
SMILES:	C(=O)(NO)c1cccc(c1)C(NO)=O
InChi:	InChI=1S/C8H8N2O4/c11-7(9-13)5-2-1-3-6(4-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)
Definition date:	2020-07-20
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide

V9Y

V9Y
Name:	N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide
Formula:	C6 H6 N2 O5
SMILES:	C(=O)(NO)c1ccc(o1)C(=O)NO
InChi:	InChI=1S/C6H6N2O5/c9-5(7-11)3-1-2-4(13-3)6(10)8-12/h1-2,11-12H,(H,7,9)(H,8,10)
Definition date:	2020-07-21
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide

VD8

VD8
Name:	3,5-di~{tert}-butylbenzenesulfonamide
Formula:	C14 H23 N O2 S
SMILES:	CC(C)(C)c1cc(cc(c1)[S](N)(=O)=O)C(C)(C)C
InChi:	InChI=1S/C14H23NO2S/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)18(15,16)17/h7-9H,1-6H3,(H2,15,16,17)
Definition date:	2019-10-17
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3,5-di~{tert}-butylbenzenesulfonamide

JMC

JMC
Name:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C11 H20 N3 O8 P
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C[CH](N)N(C)C2=O
InChi:	InChI=1S/C11H20N3O8P/c1-13-7(12)3-4-14(11(13)16)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6-10,15H,5,12H2,1-2H3,(H2,17,18,19)/t6-,7-,8-,9-,10-/m1/s1
Definition date:	2020-06-29
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

N6Q

N6Q
Name:	7-methyl-3-methylidene-oct-1-ene
Formula:	C10 H18
SMILES:	CC(C)CCCC(=C)C=C
InChi:	InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,9H,1,4,6-8H2,2-3H3
Definition date:	2019-11-14
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	7-methyl-3-methylidene-oct-1-ene

FQL

FQL
Name:	(2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide
Formula:	C17 H20 Cl2 N4 O3
SMILES:	CN[CH]([CH](C)O)C(=O)NCC=CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O
InChi:	InChI=1S/C17H20Cl2N4O3/c1-10(24)15(20-2)16(25)21-5-3-4-6-23-9-22-14-8-13(19)12(18)7-11(14)17(23)26/h3-4,7-10,15,20,24H,5-6H2,1-2H3,(H,21,25)/b4-3+/t10-,15+/m1/s1
Definition date:	2020-06-15
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2~{S},3~{R})-~{N}-[(~{E})-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide

OOW

OOW
Name:	{[(2R,3S,4R,5S,6R)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid
Formula:	C10 H19 N O13 P2
SMILES:	CC(=O)N[CH]1[CH](O[CH](CO[P](O)(O)=O)[CH](O)[CH]1OC(C)=O)O[P](O)(O)=O
InChi:	InChI=1S/C10H19NO13P2/c1-4(12)11-7-9(22-5(2)13)8(14)6(3-21-25(15,16)17)23-10(7)24-26(18,19)20/h6-10,14H,3H2,1-2H3,(H,11,12)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8-,9-,10-/m1/s1
Definition date:	2020-03-25
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[(2~{R},3~{S},4~{R},5~{S},6~{R})-3-acetamido-5-oxidanyl-2-phosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] ethanoate

H4X

H4X
Name:	(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene
Formula:	C42 H64 O2
SMILES:	COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC
InChi:	InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-18,21-30H,19-20,31-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
Definition date:	2020-06-10
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene

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