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RRO

RRO
Name:	5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C5 H3 Br N2 O4
SMILES:	O=C1NC(C(=O)O)=C(Br)C(=O)N1
InChi:	InChI=1S/C5H3BrN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
Synonyms:	5-bromoorotic acid
Definition date:	2012-11-19
Last modified:	2020-06-17
Release date:	2013-11-20
Identifier:	5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

X33

X33
Name:	Carborane inhibitor
Formula:	C5 H8 B10 N O2 S
SMILES:	N[S](=O)(=O)CCC[C++]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C+]3%15%18[B]47%14%16
InChi:	InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-4-6(5)8(4)9(4)7(4,5)11(5)10(5,6)12(6,8)14(8,9)13(7,9,11)15(10,11,12)14/h1-3H2,(H2,16,17,18)/q+3
Definition date:	2019-10-23
Last modified:	2020-06-12
Release date:	2020-06-17

UUG

UUG
Name:	(4-bromo-2-methoxyphenyl)methanol
Formula:	C8 H9 Br O2
SMILES:	c1(c(OC)cc(cc1)Br)CO
InChi:	InChI=1S/C8H9BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(4-bromo-2-methoxyphenyl)methanol

UUJ

UUJ
Name:	5-bromo-2-hydroxybenzonitrile
Formula:	C7 H4 Br N O
SMILES:	c1(cc(c(cc1)O)C#N)Br
InChi:	InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-bromo-2-hydroxybenzonitrile

UUM

UUM
Name:	5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide
Formula:	C9 H10 N4 O2
SMILES:	N(c1cn(C)nc1)C(=O)c2noc(C)c2
InChi:	InChI=1S/C9H10N4O2/c1-6-3-8(12-15-6)9(14)11-7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,14)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide

UUP

UUP
Name:	N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C10 H10 N4 O
SMILES:	n1n3cccnc3c(c1)C(NC2CC2)=O
InChi:	InChI=1S/C10H10N4O/c15-10(13-7-2-3-7)8-6-12-14-5-1-4-11-9(8)14/h1,4-7H,2-3H2,(H,13,15)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

UUS

UUS
Name:	4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
Formula:	C7 H8 Br N O2
SMILES:	C=1C(Br)=CC(N(C=1)CCO)=O
InChi:	InChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one

UUY

UUY
Name:	2-[methyl(pyridin-2-yl)amino]ethan-1-ol
Formula:	C8 H12 N2 O
SMILES:	n1ccccc1N(C)CCO
InChi:	InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-[methyl(pyridin-2-yl)amino]ethan-1-ol

UV7

UV7
Name:	N-[(1H-pyrazol-4-yl)methyl]acetamide
Formula:	C6 H9 N3 O
SMILES:	n1cc(cn1)CNC(C)=O
InChi:	InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-[(1H-pyrazol-4-yl)methyl]acetamide

UVA

UVA
Name:	N-methyl-2-(methylsulfonyl)aniline
Formula:	C8 H11 N O2 S
SMILES:	c1cc(S(C)(=O)=O)c(NC)cc1
InChi:	InChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-methyl-2-(methylsulfonyl)aniline

UVG

UVG
Name:	N,N-dimethyl-1H-pyrazole-4-carboxamide
Formula:	C6 H9 N3 O
SMILES:	n1ncc(c1)C(N(C)C)=O
InChi:	InChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N,N-dimethyl-1H-pyrazole-4-carboxamide

UVM

UVM
Name:	ethyl morpholine-4-carboxylate
Formula:	C7 H13 N O3
SMILES:	C1OCCN(C(OCC)=O)C1
InChi:	InChI=1S/C7H13NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h2-6H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	ethyl morpholine-4-carboxylate

UVV

UVV
Name:	3-amino-1,6-dimethylpyridin-2(1H)-one
Formula:	C7 H10 N2 O
SMILES:	N1(C(C)=CC=C(C1=O)N)C
InChi:	InChI=1S/C7H10N2O/c1-5-3-4-6(8)7(10)9(5)2/h3-4H,8H2,1-2H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	3-amino-1,6-dimethylpyridin-2(1H)-one

UW7

UW7
Name:	(6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid
Formula:	C8 H11 N3 O2
SMILES:	n2n(c1CC(C(O)=O)CCc1n2)C
InChi:	InChI=1S/C8H11N3O2/c1-11-7-4-5(8(12)13)2-3-6(7)9-10-11/h5H,2-4H2,1H3,(H,12,13)/t5-/m0/s1
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid

UWG

UWG
Name:	(1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol
Formula:	C10 H16 N2 O
SMILES:	n1(cc(C(C)O)cn1)C2CCCC2
InChi:	InChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3/t8-/m0/s1
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol

UWS

UWS
Name:	6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one
Formula:	C10 H11 N3 O2
SMILES:	N=2N(Cc1cc(C)no1)C(C=CC=2C)=O
InChi:	InChI=1S/C10H11N3O2/c1-7-3-4-10(14)13(11-7)6-9-5-8(2)12-15-9/h3-5H,6H2,1-2H3
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one

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

Z7F

Z7F
Name:	trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
Formula:	C33 H32 Cl F2 N O6 S
SMILES:	c2(OCc1c(cccc1F)Cl)cc3c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O)O)S(c6ccc(cc6)F)(=O)=O
InChi:	InChI=1S/C33H32ClF2NO6S/c34-28-2-1-3-29(36)26(28)19-43-24-11-14-27-22(18-24)8-15-30-33(27,44(41,42)25-12-9-23(35)10-13-25)16-17-37(30)31(38)20-4-6-21(7-5-20)32(39)40/h1-3,9-14,18,20-21,30H,4-8,15-17,19H2,(H,39,40)/t20-,21-,30-,33-/m1/s1
Definition date:	2020-06-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid

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