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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
UVD
UVD
Name:methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
Formula:C14 H14 N2 O2
SMILES:n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2
InChi:InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
Definition date:2020-06-02
Last modified:2020-06-12
Release date:2020-06-17
Identifier:methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
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
UVJ
UVJ
Name:3-(2-methyl-1H-benzimidazol-1-yl)propanamide
Formula:C11 H13 N3 O
SMILES:n2(c1ccccc1nc2C)CCC(N)=O
InChi:InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)
Definition date:2020-06-02
Last modified:2020-06-12
Release date:2020-06-17
Identifier:3-(2-methyl-1H-benzimidazol-1-yl)propanamide
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
UVS
UVS
Name:5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
Formula:C4 H7 N3 O S
SMILES:n1nc(COC)sc1N
InChi:InChI=1S/C4H7N3OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3,(H2,5,7)
Definition date:2020-06-02
Last modified:2020-06-12
Release date:2020-06-17
Identifier:5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
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
UVY
UVY
Name:2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol
Formula:C7 H12 N2 O
SMILES:n1cc(CCO)cn1CC
InChi:InChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3
Definition date:2020-06-02
Last modified:2020-06-12
Release date:2020-06-17
Identifier:2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol
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
UWD
UWD
Name:N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
Formula:C8 H10 N4
SMILES:n2c(n1ccccc1n2)CNC
InChi:InChI=1S/C8H10N4/c1-9-6-8-11-10-7-4-2-3-5-12(7)8/h2-5,9H,6H2,1H3
Definition date:2020-06-02
Last modified:2020-06-12
Release date:2020-06-17
Identifier:N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
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
U5A
U5A
Name:[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Formula:C10 H17 N7 O2
SMILES:NC(=O)OCC2C1C3(N/C(N1)=N)N(/C(N2)=N)CCC3
InChi:InChI=1S/C10H17N7O2/c11-7-15-6-5(4-19-9(13)18)14-8(12)17-3-1-2-10(6,17)16-7/h5-6H,1-4H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t5-,6-,10+/m0/s1
Definition date:2020-04-23
Last modified:2020-06-12
Release date:2020-06-17
Identifier:[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
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
KDK
KDK
Name:4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
Formula:C17 H21 N3 S
SMILES:NC(=N)c1sc(CC2CCNCC2)c(c1)c3ccccc3
InChi:InChI=1S/C17H21N3S/c18-17(19)16-11-14(13-4-2-1-3-5-13)15(21-16)10-12-6-8-20-9-7-12/h1-5,11-12,20H,6-10H2,(H3,18,19)
Definition date:2019-05-14
Last modified:2020-06-12
Release date:2020-06-17
Identifier:4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
R0Y
R0Y
Name:(2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
Formula:C29 H32 N6 O5
SMILES:c1(nc(N)ncc1Cc2cc(c(c(c2)OC)OC)[C@H]=CC(=O)N3C(c4c(C=N3)cc(c(c4)OC)OC)C5CC5)N
InChi:InChI=1S/C29H32N6O5/c1-37-22-12-19-15-33-35(26(17-5-6-17)21(19)13-23(22)38-2)25(36)8-7-18-9-16(11-24(39-3)27(18)40-4)10-20-14-32-29(31)34-28(20)30/h7-9,11-15,17,26H,5-6,10H2,1-4H3,(H4,30,31,32,34)/b8-7+/t26-/m0/s1
Definition date:2020-01-22
Last modified:2020-06-12
Release date:2020-06-17
Identifier:(2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one

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