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DU9

DU9
Name:	6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
Formula:	C27 H35 F N6 O3
SMILES:	C[CH]1CN(C[CH](C)O1)c2cc(F)c3c(c2)N(C)C(=O)C34CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5
InChi:	InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+
Definition date:	2019-08-28
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	6-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

DYR

DYR
Name:	2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide
Formula:	C21 H14 Cl N3 O
SMILES:	Clc1cccc(C#N)c1NC(=O)Cn2c3ccccc3c4ccccc24
InChi:	InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)
Definition date:	2019-09-20
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-carbazol-9-yl-~{N}-(2-chloranyl-6-cyano-phenyl)ethanamide

DYU

DYU
Name:	~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
Formula:	C22 H23 N3 O S
SMILES:	Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(C)c(C)c4)c(C)c1
InChi:	InChI=1S/C22H23N3OS/c1-13-5-8-20(16(4)9-13)25-21(18-11-27-12-19(18)24-25)23-22(26)17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H,23,26)
Definition date:	2019-09-20
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide

DYX

DYX
Name:	1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
Formula:	C24 H24 Cl N3 O4 S
SMILES:	COc1ccc(cc1)n2nc3C[S](=O)(=O)Cc3c2NC(=O)C4(CCCC4)c5ccc(Cl)cc5
InChi:	InChI=1S/C24H24ClN3O4S/c1-32-19-10-8-18(9-11-19)28-22(20-14-33(30,31)15-21(20)27-28)26-23(29)24(12-2-3-13-24)16-4-6-17(25)7-5-16/h4-11H,2-3,12-15H2,1H3,(H,26,29)
Definition date:	2019-09-20
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	1-(4-chlorophenyl)-~{N}-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide

S3O

S3O
Name:	N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
Formula:	C18 H21 N3 O
SMILES:	C2CNc1cc(NC(=O)C)nc(c1C2)c3cccc(c3C)C
InChi:	InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)
Definition date:	2019-10-25
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide

Y35

Y35
Name:	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)
Formula:	C44 H46 B N4 O5
SMILES:	O=C(N2CCC(c1cc(ccc1)CN)CC2)c3cccc(c3)c4cc(ccc4)[B-]5(Oc6c(O5)cc(cc6)C(=O)N7CCC(CC7)c8cc(ccc8)CN)O
InChi:	InChI=1S/C44H46BN4O5/c46-28-30-5-1-7-34(23-30)32-15-19-48(20-16-32)43(50)38-11-3-9-36(25-38)37-10-4-12-40(26-37)45(52)53-41-14-13-39(27-42(41)54-45)44(51)49-21-17-33(18-22-49)35-8-2-6-31(24-35)29-47/h1-14,23-27,32-33,52H,15-22,28-29,46-47H2/q-1/t45-/m1/s1
Definition date:	2019-05-20
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)

X77

X77
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
Formula:	C27 H33 N5 O2
SMILES:	C(=O)(N(C(c1cccnc1)C(NC2CCCCC2)=O)c3ccc(C(C)(C)C)cc3)c4cncn4
InChi:	InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide

L5E

L5E
Name:	[(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
Formula:	C11 H14 Br2 N O2
SMILES:	[NH3+][CH]1CCc2c(Br)ccc(Br)c2CC1(O)O
InChi:	InChI=1S/C11H13Br2NO2/c12-8-2-3-9(13)7-5-11(15,16)10(14)4-1-6(7)8/h2-3,10,15-16H,1,4-5,14H2/p+1/t10-/m0/s1
Definition date:	2019-07-22
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	[(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium

GZ0

GZ0
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S},5~{S},6~{S})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:	C17 H27 N5 O17 P2
SMILES:	OP(OC1OC(C(C(C1O)O)O)C(O)CO)(=O)OP(=O)(O)OCC2C(O)C(C(O2)n3cnc4c3NC(=NC4=O)N)O
InChi:	InChI=1S/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/t4-,5+,7+,8-,9-,10+,11-,12-,15+,16+/m0/s1
Definition date:	2020-01-31
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

K0B

K0B
Name:	~{N}-[[4,5-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine
Formula:	C27 H22 F2 N8 O
SMILES:	Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)c5ccc6ccccc6c5)N7CCOCC7)nc2c1F
InChi:	InChI=1S/C27H22F2N8O/c28-19-7-8-20-23(22(19)29)33-21(32-20)14-30-25-24-26(35-27(34-25)36-9-11-38-12-10-36)37(15-31-24)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13,15H,9-12,14H2,(H,32,33)(H,30,34,35)
Definition date:	2019-04-11
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	~{N}-[[4,5-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine

K0E

K0E
Name:	~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine
Formula:	C23 H19 F3 N8 O
SMILES:	Fc1cccc(c1)n2cnc3c(NCc4[nH]c5c(F)c(F)ccc5n4)nc(nc23)N6CCOCC6
InChi:	InChI=1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)
Definition date:	2019-04-11
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine

QNA

QNA
Name:	(1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
Formula:	C10 H9 B F O5
SMILES:	OC(=O)c1c(F)ccc2[CH]3C[CH]3[B-](O)(O)Oc12
InChi:	InChI=1S/C10H9BFO5/c12-7-2-1-4-5-3-6(5)11(15,16)17-9(4)8(7)10(13)14/h1-2,5-6,15-16H,3H2,(H,13,14)/q-1/t5-,6-/m1/s1
Definition date:	2019-11-24
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(2~{S},4~{R})-9-fluoranyl-5,5-bis(oxidanyl)-6-oxa-5-boranuidatricyclo[5.4.0.0^{2,4}]undeca-1(11),7,9-triene-8-carboxylic acid

LWA

LWA
Name:	(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
Formula:	C12 H14 N2 O3
SMILES:	NC(=O)c1ccc(NC(=O)[CH]2CCCO2)cc1
InChi:	InChI=1S/C12H14N2O3/c13-11(15)8-3-5-9(6-4-8)14-12(16)10-2-1-7-17-10/h3-6,10H,1-2,7H2,(H2,13,15)(H,14,16)/t10-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide

M3A

M3A
Name:	5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide
Formula:	C16 H13 N7 O
SMILES:	c1(ccc(C#N)cc1)Nc3nc(N)n(C(=O)Nc2ccccc2)n3
InChi:	InChI=1S/C16H13N7O/c17-10-11-6-8-13(9-7-11)19-15-21-14(18)23(22-15)16(24)20-12-4-2-1-3-5-12/h1-9H,(H,20,24)(H3,18,19,21,22)
Definition date:	2019-03-19
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide

M3Y

M3Y
Name:	5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide
Formula:	C15 H15 N7 O3 S
SMILES:	c3c(ccc(Nc2nc(N)n(C(Nc1ccccc1)=O)n2)c3)S(N)(=O)=O
InChi:	InChI=1S/C15H15N7O3S/c16-13-20-14(18-11-6-8-12(9-7-11)26(17,24)25)21-22(13)15(23)19-10-4-2-1-3-5-10/h1-9H,(H,19,23)(H2,17,24,25)(H3,16,18,20,21)
Definition date:	2019-03-21
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide

M4P

M4P
Name:	[4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
Formula:	C18 H15 N7 O4
SMILES:	OC(COc1ccc(cc1)NC(n3c(nc(Nc2ccc(C#N)cc2)n3)N)=O)=O
InChi:	InChI=1S/C18H15N7O4/c19-9-11-1-3-12(4-2-11)21-17-23-16(20)25(24-17)18(28)22-13-5-7-14(8-6-13)29-10-15(26)27/h1-8H,10H2,(H,22,28)(H,26,27)(H3,20,21,23,24)
Definition date:	2019-03-22
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	[4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid

M57

M57
Name:	2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid
Formula:	C19 H16 N8 O6 S
SMILES:	OC(=O)c1nc(oc1)c2ccc(cc2)NC(n3nc(nc3N)Nc4ccc(cc4)S(N)(=O)=O)=O
InChi:	InChI=1S/C19H16N8O6S/c20-17-25-18(22-11-5-7-13(8-6-11)34(21,31)32)26-27(17)19(30)23-12-3-1-10(2-4-12)15-24-14(9-33-15)16(28)29/h1-9H,(H,23,30)(H,28,29)(H2,21,31,32)(H3,20,22,25,26)
Definition date:	2019-03-25
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid

BQU

BQU
Name:	3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid
Formula:	C19 H18 N2 O3 S
SMILES:	Nc1ccc(cc1CCC(O)=O)c2csc(COc3ccccc3)n2
InChi:	InChI=1S/C19H18N2O3S/c20-16-8-6-14(10-13(16)7-9-19(22)23)17-12-25-18(21-17)11-24-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11,20H2,(H,22,23)
Definition date:	2019-03-05
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid

SZY

SZY
Name:	N-(4-methylpyridin-3-yl)acetamide
Formula:	C8 H10 N2 O
SMILES:	c1(ccncc1NC(C)=O)C
InChi:	InChI=1S/C8H10N2O/c1-6-3-4-9-5-8(6)10-7(2)11/h3-5H,1-2H3,(H,10,11)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(4-methylpyridin-3-yl)acetamide

T0J

T0J
Name:	N~1~-phenylpiperidine-1,4-dicarboxamide
Formula:	C13 H17 N3 O2
SMILES:	C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O
InChi:	InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N~1~-phenylpiperidine-1,4-dicarboxamide

T0S

T0S
Name:	N-[(4-sulfamoylphenyl)methyl]acetamide
Formula:	C9 H12 N2 O3 S
SMILES:	c1c(ccc(CNC(C)=O)c1)S(N)(=O)=O
InChi:	InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(4-sulfamoylphenyl)methyl]acetamide

T1J

T1J
Name:	2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol
Formula:	C14 H13 N3 O
SMILES:	c3(NCc1c(O)cccc1)nc2ccccc2n3
InChi:	InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol

T1M

T1M
Name:	(2R,3R)-1-benzyl-2-methylpiperidin-3-ol
Formula:	C13 H19 N O
SMILES:	c2(CN1C(C)C(CCC1)O)ccccc2
InChi:	InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11-,13+/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(2R,3R)-1-benzyl-2-methylpiperidin-3-ol

T54

T54
Name:	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
Formula:	C10 H13 N O S
SMILES:	c1c(csc1)C2C(C(N)=O)CCC2
InChi:	InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide

NWT

NWT
Name:	N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide
Formula:	C39 H52 F2 N6 O8
SMILES:	CCCCC=CC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O
InChi:	InChI=1S/C39H52F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h7,13,17-18,20,23-24,28-32H,4-6,8-12,14-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t23-,24+,28+,29+,30+,31+,32+/m1/s1
Definition date:	2020-01-06
Last modified:	2020-03-20
Release date:	2020-03-25

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