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LDJ
LDJ
Name:2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide
Formula:C10 H15 N3 O2 S
SMILES:N(/C(C(C)C)=O)=C2NN=C(C1OCCC1)S2
InChi:InChI=1S/C10H15N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,11,13,14)/t7-/m0/s1
Definition date:2019-02-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide
LDS
LDS
Name:N-(4-ethoxyphenyl)pyrazine-2-carboxamide
Formula:C13 H13 N3 O2
SMILES:n2ccnc(C(Nc1ccc(cc1)OCC)=O)c2
InChi:InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)
Definition date:2019-02-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:N-(4-ethoxyphenyl)pyrazine-2-carboxamide
LDV
LDV
Name:3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
Formula:C15 H20 N2
SMILES:N1(CCC(CC1)C)Cc3c2c(cccc2)nc3
InChi:InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
Definition date:2019-02-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
LE7
LE7
Name:N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide
Formula:C14 H16 F N3 O
SMILES:n1c(cc(CCC)n1)C(NCc2ccc(cc2)F)=O
InChi:InChI=1S/C14H16FN3O/c1-2-3-12-8-13(18-17-12)14(19)16-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3,(H,16,19)(H,17,18)
Definition date:2019-02-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide
LEJ
LEJ
Name:1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
Formula:C12 H10 F3 N3 O
SMILES:n2(ccc(C(NCc1ccc(F)cc1)=O)n2)C(F)F
InChi:InChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-18(17-10)12(14)15/h1-6,12H,7H2,(H,16,19)
Definition date:2019-02-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
LES
LES
Name:(3S)-N-(pyrimidin-2-yl)azepan-3-amine
Formula:C10 H16 N4
SMILES:N(C1CNCCCC1)c2ncccn2
InChi:InChI=1S/C10H16N4/c1-2-5-11-8-9(4-1)14-10-12-6-3-7-13-10/h3,6-7,9,11H,1-2,4-5,8H2,(H,12,13,14)/t9-/m0/s1
Definition date:2019-02-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:(3S)-N-(pyrimidin-2-yl)azepan-3-amine
LEY
LEY
Name:N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide
Formula:C14 H16 F N3 O
SMILES:n2c(C(NCc1ccc(cc1)F)=O)cnc2C(C)C
InChi:InChI=1S/C14H16FN3O/c1-9(2)13-16-8-12(18-13)14(19)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19)
Definition date:2019-02-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide
LF4
LF4
Name:N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
Formula:C14 H16 F N3 O
SMILES:n1c(cc(n1)C(C)C)C(NCc2ccc(cc2)F)=O
InChi:InChI=1S/C14H16FN3O/c1-9(2)12-7-13(18-17-12)14(19)16-8-10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18)
Definition date:2019-02-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
JSN
JSN
Name:(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide
Formula:C14 H15 F2 N3 O2
SMILES:CN(C)C(=O)[CH]1[CH](NC(=O)N=C1C)c2ccc(F)cc2F
InChi:InChI=1S/C14H15F2N3O2/c1-7-11(13(20)19(2)3)12(18-14(21)17-7)9-5-4-8(15)6-10(9)16/h4-6,11-12H,1-3H3,(H,18,21)/t11-,12-/m1/s1
Definition date:2019-03-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide
KHY
KHY
Name:(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
Formula:C29 H28 Cl F6 N5 O2
SMILES:c32c(c(CN1CCC(CC1)C(F)(F)F)c(nc2ccc(c3)C(c4cnc(C)n4C)(O)c5ccnc(c5)C(F)(F)F)OC)Cl
InChi:InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1
Definition date:2018-12-10
Last modified:2019-05-03
Release date:2019-05-08
Identifier:(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
FFW
FFW
Name:4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
Formula:C20 H16 Cl N3 O4
SMILES:COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4ccc(Cl)cc4
InChi:InChI=1S/C20H16ClN3O4/c1-11-15(10-17-19(25)23-28-22-17)16-9-14(27-2)7-8-18(16)24(11)20(26)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,23,25)
Definition date:2018-06-27
Last modified:2019-05-03
Release date:2019-05-08
Identifier:4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
8AG
8AG
Name:8-[ACETYL(ANTHRACEN-2-YL)AMINO]-2'-DEOXYGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:C26 H27 N6 O8 P
SMILES:O=C(N(c3cc2cc1ccccc1cc2cc3)C5N(C=4N=C(N)NC(=O)C=4N5)C6OC(C(O)C6)COP(=O)(O)O)C
InChi:InChI=1S/C26H27N6O8P/c1-13(33)31(18-7-6-16-8-14-4-2-3-5-15(14)9-17(16)10-18)26-28-22-23(29-25(27)30-24(22)35)32(26)21-11-19(34)20(40-21)12-39-41(36,37)38/h2-10,19-21,26,28,34H,11-12H2,1H3,(H2,36,37,38)(H3,27,29,30,35)/t19-,20+,21+,26+/m0/s1
Definition date:2010-06-07
Last modified:2019-05-03
Identifier:8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)
MHG
MHG
Name:2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate
Formula:C17 H30 N5 O8 P
SMILES:CC[CH](C)CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)NC
InChi:InChI=1S/C17H30N5O8P/c1-4-9(2)5-6-21-8-22(14-11(21)15(25)20-17(18-3)19-14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h9-10,12-13,16,23-24H,4-8H2,1-3H3,(H2,26,27,28)(H2,18,19,20,25)/t9-,10+,12+,13+,16+/m0/s1
Definition date:2017-09-25
Last modified:2019-05-03
Release date:2018-01-24
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[2-(methylamino)-7-[(3~{S})-3-methylpentyl]-6-oxidanylidene-1,8-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
M3D
M3D
Name:7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
Formula:C28 H25 N3 O4
SMILES:C2=C(C(=O)NCCN1CCOCC1)c4ccc(cc4Oc3c2cccc3)c5ccc(O)c(C#N)c5
InChi:InChI=1S/C28H25N3O4/c29-18-22-15-19(6-8-25(22)32)20-5-7-23-24(28(33)30-9-10-31-11-13-34-14-12-31)16-21-3-1-2-4-26(21)35-27(23)17-20/h1-8,15-17,32H,9-14H2,(H,30,33)
Definition date:2019-03-20
Last modified:2019-05-03
Release date:2019-05-08
Identifier:7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
M5J
M5J
Name:1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
Formula:C15 H20 F N O
SMILES:c2cc(cc(C1N(CCC1)C(C(C)(C)C)=O)c2)F
InChi:InChI=1S/C15H20FNO/c1-15(2,3)14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
Definition date:2019-03-26
Last modified:2019-05-03
Release date:2019-05-08
Identifier:1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
ONC
ONC
Name:7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one
Formula:C24 H24 N4 O
SMILES:Cc1c(cccc1)CN4C(C=2CN(CCC=2n3c4ncc3)Cc5ccccc5)=O
InChi:InChI=1S/C24H24N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10,12,14H,11,13,15-17H2,1H3
Definition date:2018-06-03
Last modified:2019-05-03
Release date:2019-05-08
Identifier:7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one
JRT
JRT
Name:2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide
Formula:C17 H17 N3 O
SMILES:O=C(Cn1cnc2ccccc12)NCCc3ccccc3
InChi:InChI=1S/C17H17N3O/c21-17(18-11-10-14-6-2-1-3-7-14)12-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21)
Definition date:2019-03-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide
JRW
JRW
Name:(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
Formula:C19 H26 N2 O2
SMILES:CC(C)[C]12C[C](O)(N(C3CCC3)C1=O)c4ccc(C)cc4CN2
InChi:InChI=1S/C19H26N2O2/c1-12(2)18-11-19(23,21(17(18)22)15-5-4-6-15)16-8-7-13(3)9-14(16)10-20-18/h7-9,12,15,20,23H,4-6,10-11H2,1-3H3/t18-,19-/m0/s1
Definition date:2019-03-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
JSB
JSB
Name:(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
Formula:C17 H22 N2 O2
SMILES:CC(C)[C]12C[C](O)(N(C3CC3)C1=O)c4ccccc4CN2
InChi:InChI=1S/C17H22N2O2/c1-11(2)16-10-17(21,19(15(16)20)13-7-8-13)14-6-4-3-5-12(14)9-18-16/h3-6,11,13,18,21H,7-10H2,1-2H3/t16-,17-/m0/s1
Definition date:2019-03-22
Last modified:2019-05-03
Release date:2019-05-08
Identifier:(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
M7A
M7A
Name:7-methyl, adenosine-5'-monophosphate
Formula:C11 H18 N5 O7 P
SMILES:CN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3ncnc(N)c13
InChi:InChI=1S/C11H18N5O7P/c1-15-4-16(10-6(15)9(12)13-3-14-10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2,4H2,1H3,(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Definition date:2017-09-25
Last modified:2019-05-02
Release date:2018-01-24
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-7-methyl-8~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
B8T
B8T
Name:4-methyl, cytidine-5'-monophosphate
Formula:C10 H16 N3 O8 P
SMILES:CNC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:InChI=1S/C10H16N3O8P/c1-11-6-2-3-13(10(16)12-6)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
Definition date:2017-09-25
Last modified:2019-05-02
Release date:2018-01-24
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[4-(methylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
E3C
E3C
Name:3-ethyl, cytidine-5'-monophosphate
Formula:C11 H20 N3 O8 P
SMILES:CCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
InChi:InChI=1S/C11H20N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6-10,15-16H,2,5,12H2,1H3,(H2,18,19,20)/t6-,7?,8-,9-,10-/m1/s1
Definition date:2017-09-25
Last modified:2019-05-02
Release date:2018-01-24
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-ethyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
B8W
B8W
Name:6-methyl, guanosine-5'-monophosphate
Formula:C11 H16 N5 O8 P
SMILES:COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
InChi:InChI=1S/C11H16N5O8P/c1-22-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
Definition date:2017-09-25
Last modified:2019-04-30
Release date:2018-01-24
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
47C
47C
Name:2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:C12 H18 N3 O8 P
SMILES:O=C1N=C(NOC/C=C)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C12H18N3O8P/c1-2-5-21-14-10-3-4-15(12(17)13-10)11-6-8(16)9(23-11)7-22-24(18,19)20/h2-4,8-9,11,16H,1,5-7H2,(H,13,14,17)(H2,18,19,20)/t8-,9+,11+/m0/s1
Definition date:2010-08-10
Last modified:2019-04-29
Identifier:2'-deoxy-N-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)
I4U
I4U
Name:4-isopropyl, uridine-5'-monophosphate
Formula:C12 H19 N2 O9 P
SMILES:CC(C)OC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:InChI=1S/C12H19N2O9P/c1-6(2)22-8-3-4-14(12(17)13-8)11-10(16)9(15)7(23-11)5-21-24(18,19)20/h3-4,6-7,9-11,15-16H,5H2,1-2H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1
Definition date:2017-09-25
Last modified:2019-04-29
Release date:2018-01-24
Identifier:[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-propan-2-yloxy-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

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