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UWV

UWV
Name:	2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline
Formula:	C10 H10 F N3
SMILES:	n2nc(CNc1ccccc1F)cc2
InChi:	InChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-7-8-5-6-13-14-8/h1-6,12H,7H2,(H,13,14)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline

UWY

UWY
Name:	N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
Formula:	C11 H17 N3 O
SMILES:	N(c1cnn(c1)CC)C(=O)C2CCCC2
InChi:	InChI=1S/C11H17N3O/c1-2-14-8-10(7-12-14)13-11(15)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,15)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide

UX1

UX1
Name:	1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
Formula:	C12 H14 F N O
SMILES:	c1(c(cccc1)F)CC2(CC2)C(NC)=O
InChi:	InChI=1S/C12H14FNO/c1-14-11(15)12(6-7-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

UX7

UX7
Name:	N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
Formula:	C12 H12 N2 O2 S
SMILES:	N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3
InChi:	InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

UXA

UXA
Name:	~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
Formula:	C11 H11 N O3
SMILES:	c1(cc2c(cc1)OCO2)C(NC3CC3)=O
InChi:	InChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-cyclopropyl-2H-1,3-benzodioxole-5-carboxamide

UXD

UXD
Name:	(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
Formula:	C8 H11 N3 O
SMILES:	n1cc(cn1)C(N2CCCC2)=O
InChi:	InChI=1S/C8H11N3O/c12-8(7-5-9-10-6-7)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone

UXG

UXG
Name:	1-(diphenylmethyl)azetidin-3-ol
Formula:	C16 H17 N O
SMILES:	c1(ccccc1)C(c2ccccc2)N3CC(C3)O
InChi:	InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-(diphenylmethyl)azetidin-3-ol

UXJ

UXJ
Name:	2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
Formula:	C11 H12 F N3
SMILES:	n2cc(CNc1ccccc1F)c(n2)C
InChi:	InChI=1S/C11H12FN3/c1-8-9(7-14-15-8)6-13-11-5-3-2-4-10(11)12/h2-5,7,13H,6H2,1H3,(H,14,15)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline

HEO

HEO
Name:	HEME O
Formula:	C49 H58 Fe N4 O5
SMILES:	[Fe]321N4C5=CC8=[N+]1C(=Cc7n2c(C=C6[N+]3=C(C=C4C(=C5CCC(=O)O)C)C(=C6C(O)CCC=C(/CCC=C(CCC=C(C)C)C)C)C)c(c7C=C)C)C(=C8CCC(=O)O)C
InChi:	InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40
Definition date:	2000-09-28
Last modified:	2020-06-11
Identifier:	[3,3'-{7-ethenyl-12-[(1S,4Z,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}di(propanoato)(2-)]iron(2+)

R3Y

R3Y
Name:	1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione
Formula:	C23 H21 Cl F N3 O3 S
SMILES:	Cc4cc(Cl)cc(c2ccnc3cc(CN1C(CCC1=O)=O)sc23)c4OC5CNCC5F
InChi:	InChI=1S/C23H21ClFN3O3S/c1-12-6-13(24)7-16(22(12)31-19-10-26-9-17(19)25)15-4-5-27-18-8-14(32-23(15)18)11-28-20(29)2-3-21(28)30/h4-8,17,19,26H,2-3,9-11H2,1H3/t17-,19+/m0/s1
Definition date:	2020-01-29
Last modified:	2020-06-08
Release date:	2020-04-29
Identifier:	1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}pyrrolidine-2,5-dione

R44

R44
Name:	1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione
Formula:	C25 H23 Cl N4 O4 S
SMILES:	c1(Cl)cc(c2c(c1)CC(O2)C(N3CCNCC3)=O)c5ccnc6cc(CN4C(=O)CCC4=O)sc56
InChi:	InChI=1S/C25H23ClN4O4S/c26-15-9-14-10-20(25(33)29-7-5-27-6-8-29)34-23(14)18(11-15)17-3-4-28-19-12-16(35-24(17)19)13-30-21(31)1-2-22(30)32/h3-4,9,11-12,20,27H,1-2,5-8,10,13H2/t20-/m1/s1
Definition date:	2020-01-29
Last modified:	2020-06-08
Release date:	2020-04-29
Identifier:	1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione

VSK

VSK
Name:	(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
Formula:	C22 H27 N3 O
SMILES:	Cc1cc(C)c(CCNC(=O)[CH](N)Cc2c[nH]c3ccccc23)c(C)c1
InChi:	InChI=1S/C22H27N3O/c1-14-10-15(2)18(16(3)11-14)8-9-24-22(26)20(23)12-17-13-25-21-7-5-4-6-19(17)21/h4-7,10-11,13,20,25H,8-9,12,23H2,1-3H3,(H,24,26)/t20-/m0/s1
Synonyms:	VSK-B24
Definition date:	2017-07-21
Last modified:	2020-06-05
Release date:	2018-09-12
Identifier:	(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

L5K

L5K
Name:	~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
Formula:	C22 H17 N3 O7 S
SMILES:	OC1(CC1)C(=O)Nc2cccc(N[S](=O)(=O)c3ccc4oc5cc(ccc5c4c3)[N+]([O-])=O)c2
InChi:	InChI=1S/C22H17N3O7S/c26-21(22(27)8-9-22)23-13-2-1-3-14(10-13)24-33(30,31)16-5-7-19-18(12-16)17-6-4-15(25(28)29)11-20(17)32-19/h1-7,10-12,24,27H,8-9H2,(H,23,26)
Definition date:	2019-07-22
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide

L5N

L5N
Name:	4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
Formula:	C21 H13 Cl N2 O5 S
SMILES:	OC(=O)c1ccc(CN2C(=O)c3cccc(NC(=O)c4sc(Cl)cc4)c3C2=O)cc1
InChi:	InChI=1S/C21H13ClN2O5S/c22-16-9-8-15(30-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)10-11-4-6-12(7-5-11)21(28)29/h1-9H,10H2,(H,23,25)(H,28,29)
Definition date:	2019-07-22
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid

CKU

CKU
Name:	(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
Formula:	C9 H17 N O4
SMILES:	CCCN1C[CH](O)[CH](O)[CH](C1)C(O)=O
InChi:	InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1
Definition date:	2019-05-09
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid

CKX

CKX
Name:	(2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid
Formula:	C9 H17 N O4
SMILES:	CCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
InChi:	InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1
Definition date:	2019-05-09
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid

N9T

N9T
Name:	(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
Formula:	C25 H28 N2 O5
SMILES:	COc1cc2OC(=O)C(=Cc2cc1OC)NC(=O)[CH]3CCC[CH](C3)NCc4ccccc4
InChi:	InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m1/s1
Definition date:	2019-11-21
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide

P1W

P1W
Name:	3-methylbut-2-en-1-ol
Formula:	C5 H10 O
SMILES:	CC(C)=CCO
InChi:	InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
Definition date:	2020-04-14
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-methylbut-2-en-1-ol

EUL

EUL
Name:	2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide
Formula:	C17 H14 Br N3 O S
SMILES:	Brc1ccccc1C(=O)Nc2ncnc3sc4CCCCc4c23
InChi:	InChI=1S/C17H14BrN3OS/c18-12-7-3-1-5-10(12)16(22)21-15-14-11-6-2-4-8-13(11)23-17(14)20-9-19-15/h1,3,5,7,9H,2,4,6,8H2,(H,19,20,21,22)
Definition date:	2020-01-28
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	2-bromanyl-~{N}-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide

QD7

QD7
Name:	(R)-(3-aminopropyl)methylphosphinic acid
Formula:	C4 H12 N O2 P
SMILES:	C(CCP(C)(O)=O)N
InChi:	InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
Definition date:	2019-10-16
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(R)-(3-aminopropyl)methylphosphinic acid

QDA

QDA
Name:	N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine
Formula:	C15 H23 N5 O2 S
SMILES:	c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2NC3CCCC3)SC
InChi:	InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
Definition date:	2019-10-16
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine

QY4

QY4
Name:	N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide
Formula:	C28 H39 N3 O2 S
SMILES:	C21(CCC(C1CC(CCCCCC)=C2c3ccccc3)NS(N)(=O)=O)CN(C)c4ccccc4
InChi:	InChI=1S/C28H39N3O2S/c1-3-4-5-8-15-23-20-25-26(30-34(29,32)33)18-19-28(25,27(23)22-13-9-6-10-14-22)21-31(2)24-16-11-7-12-17-24/h6-7,9-14,16-17,25-26,30H,3-5,8,15,18-21H2,1-2H3,(H2,29,32,33)/t25-,26-,28-/m0/s1
Definition date:	2020-01-14
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide

QZ8

QZ8
Name:	3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
Formula:	C13 H11 N3 O
SMILES:	Cc1[nH]nc2NC(=O)C=C(c3ccccc3)c12
InChi:	InChI=1S/C13H11N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-7H,1H3,(H2,14,15,16,17)
Definition date:	2019-12-13
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one

NF8

NF8
Name:	(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
Formula:	C6 H11 F O4
SMILES:	OC[CH]1OC[CH](F)[CH](O)[CH]1O
InChi:	InChI=1S/C6H11FO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Definition date:	2019-11-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol

NTQ

NTQ
Name:	(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
Formula:	C17 H20 F2 N4 O2
SMILES:	Cc1[nH]nc2NC(=O)C=C([CH]3CC[CH](CC3)NC(=O)[CH]4CC4(F)F)c12
InChi:	InChI=1S/C17H20F2N4O2/c1-8-14-11(6-13(24)21-15(14)23-22-8)9-2-4-10(5-3-9)20-16(25)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H,20,25)(H2,21,22,23,24)/t9-,10-,12-/m0/s1
Definition date:	2019-12-13
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide

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