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WI4
WI4
Name:N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
Formula:C13 H10 Cl N5
SMILES:Clc1ccccc1Nc2ncnc(n2)n3cccc3
InChi:InChI=1S/C13H10ClN5/c14-10-5-1-2-6-11(10)17-12-15-9-16-13(18-12)19-7-3-4-8-19/h1-9H,(H,15,16,17,18)
Definition date:2013-05-18
Last modified:2013-09-13
Release date:2013-09-18
Identifier:N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
URQ
URQ
Name:(2S)-3-(carbamoylamino)-2-methylpropanoic acid
Formula:C5 H10 N2 O3
SMILES:O=C(NCC(C(=O)O)C)N
InChi:InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1
Definition date:2013-07-02
Last modified:2013-09-13
Release date:2013-09-18
Identifier:(2S)-3-(carbamoylamino)-2-methylpropanoic acid
X16
X16
Name:N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide
Formula:C19 H21 N5 O4 S
SMILES:O=C(NS(=O)(=O)c3cccc(c2ccc1c(nc(nc1N)C)c2)c3)C(N)C(O)C
InChi:InChI=1S/C19H21N5O4S/c1-10(25)17(20)19(26)24-29(27,28)14-5-3-4-12(8-14)13-6-7-15-16(9-13)22-11(2)23-18(15)21/h3-10,17,25H,20H2,1-2H3,(H,24,26)(H2,21,22,23)/t10-,17+/m1/s1
Definition date:2012-11-19
Last modified:2013-09-13
Release date:2013-09-18
Identifier:N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide
X48
X48
Name:3-hydroxy-6-phenylpyridin-2(5H)-one
Formula:C11 H9 N O2
SMILES:O=C2N=C(c1ccccc1)CC=C2O
InChi:InChI=1S/C11H9NO2/c13-10-7-6-9(12-11(10)14)8-4-2-1-3-5-8/h1-5,7,13H,6H2
Definition date:2013-08-12
Last modified:2013-09-13
Release date:2013-09-18
Identifier:3-hydroxy-6-phenylpyridin-2(5H)-one
K80
K80
Name:(2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
Formula:C12 H17 N O2
SMILES:OC2C(c1ccc(cc1)C)NC(C)C2O
InChi:InChI=1S/C12H17NO2/c1-7-3-5-9(6-4-7)10-12(15)11(14)8(2)13-10/h3-6,8,10-15H,1-2H3/t8-,10-,11+,12-/m0/s1
Definition date:2013-03-08
Last modified:2013-09-13
Release date:2013-09-18
Identifier:(2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
9KQ
9KQ
Name:2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline
Formula:C16 H11 N5
SMILES:n1c(nc(c2ccccc12)n3cnnc3)c4ccccc4
InChi:InChI=1S/C16H11N5/c1-2-6-12(7-3-1)15-19-14-9-5-4-8-13(14)16(20-15)21-10-17-18-11-21/h1-11H
Definition date:2013-05-20
Last modified:2013-09-13
Release date:2013-09-18
Identifier:2-phenyl-4-(4H-1,2,4-triazol-4-yl)quinazoline
1NO
1NO
Name:2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
Formula:C18 H20 F N5 O2 S2
SMILES:FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)CSc3nc(N)cc(n3)N
InChi:InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24)
Definition date:2013-04-05
Last modified:2013-09-13
Release date:2013-09-18
Identifier:2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
1OR
1OR
Name:(2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
Formula:C16 H24 N5 O6 P
SMILES:O=P3(OCC4OC(n1c2ncnc(N(CCC)CCC)c2nc1)C(O)C4O3)O
InChi:InChI=1S/C16H24N5O6P/c1-3-5-20(6-4-2)14-11-15(18-8-17-14)21(9-19-11)16-12(22)13-10(26-16)7-25-28(23,24)27-13/h8-10,12-13,16,22H,3-7H2,1-2H3,(H,23,24)/t10-,12-,13-,16-/m1/s1
Definition date:2013-04-12
Last modified:2013-09-13
Release date:2013-09-18
Identifier:(2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
1Q6
1Q6
Name:6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
Formula:C17 H25 N5 O2
SMILES:n1c(N)cc(cc1COCC(OCc2nc(N)cc(c2)C)CN)C
InChi:InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1
Definition date:2013-04-25
Last modified:2013-09-13
Release date:2013-09-18
Identifier:6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
1Q7
1Q7
Name:6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
Formula:C17 H25 N5 O2
SMILES:n1c(N)cc(cc1COCC(OCc2nc(N)cc(c2)C)CN)C
InChi:InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
Definition date:2013-04-25
Last modified:2013-09-13
Release date:2013-09-18
Identifier:6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
1QG
1QG
Name:(3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine
Formula:C19 H19 F N4 O
SMILES:Fc1ccc(cc1)c2nn(cc2c3cc(ncc3)C4NCCOC4)C
InChi:InChI=1S/C19H19FN4O/c1-24-11-16(19(23-24)13-2-4-15(20)5-3-13)14-6-7-21-17(10-14)18-12-25-9-8-22-18/h2-7,10-11,18,22H,8-9,12H2,1H3/t18-/m1/s1
Definition date:2013-04-26
Last modified:2013-09-13
Release date:2013-09-18
Identifier:(3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine
1QJ
1QJ
Name:{4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-yl}methanol
Formula:C15 H12 F N3 O
SMILES:Fc3ccc(c1nncc1c2ccnc(c2)CO)cc3
InChi:InChI=1S/C15H12FN3O/c16-12-3-1-10(2-4-12)15-14(8-18-19-15)11-5-6-17-13(7-11)9-20/h1-8,20H,9H2,(H,18,19)
Definition date:2013-04-26
Last modified:2013-09-13
Release date:2013-09-18
Identifier:{4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-yl}methanol
1QM
1QM
Name:9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine
Formula:C18 H17 F N4 O
SMILES:Fc1ccc(cc1)c2nn(cc2c4ccnc3c4OCCNC3)C
InChi:InChI=1S/C18H17FN4O/c1-23-11-15(17(22-23)12-2-4-13(19)5-3-12)14-6-7-21-16-10-20-8-9-24-18(14)16/h2-7,11,20H,8-10H2,1H3
Definition date:2013-04-27
Last modified:2013-09-13
Release date:2013-09-18
Identifier:9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine
1QN
1QN
Name:1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine
Formula:C17 H17 F N4
SMILES:Fc3ccc(c1nn(cc1c2ccnc(c2)CNC)C)cc3
InChi:InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3
Definition date:2013-04-27
Last modified:2013-09-13
Release date:2013-09-18
Identifier:1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine
1QO
1QO
Name:N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine
Formula:C16 H14 N4
SMILES:n1c(ccnc1NCc2ccccc2)c3cccnc3
InChi:InChI=1S/C16H14N4/c1-2-5-13(6-3-1)11-19-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-10,12H,11H2,(H,18,19,20)
Definition date:2013-04-27
Last modified:2013-09-13
Release date:2013-09-18
Identifier:N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine
1QX
1QX
Name:dodecyl hydrogen (S)-(3-azidopropyl)phosphonate
Formula:C15 H32 N3 O3 P
SMILES:[N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCC)O
InChi:InChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h2-15H2,1H3,(H,19,20)
Definition date:2013-05-01
Last modified:2013-09-13
Release date:2013-09-18
Identifier:dodecyl hydrogen (S)-(3-azidopropyl)phosphonate
1QY
1QY
Name:tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate
Formula:C17 H36 N3 O3 P
SMILES:[N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCCCC)O
InChi:InChI=1S/C17H36N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-24(21,22)17-14-15-19-20-18/h2-17H2,1H3,(H,21,22)
Definition date:2013-05-01
Last modified:2013-09-13
Release date:2013-09-18
Identifier:tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate
1R1
1R1
Name:hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate
Formula:C19 H40 N3 O3 P
SMILES:[N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCCCCCC)O
InChi:InChI=1S/C19H40N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-26(23,24)19-16-17-21-22-20/h2-19H2,1H3,(H,23,24)
Definition date:2013-05-02
Last modified:2013-09-13
Release date:2013-09-18
Identifier:hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate
1RV
1RV
Name:2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide
Formula:C9 H9 N5 O2 S2
SMILES:O=C(c1c(scc1)NC(=O)CSc2ncnn2)N
InChi:InChI=1S/C9H9N5O2S2/c10-7(16)5-1-2-17-8(5)13-6(15)3-18-9-11-4-12-14-9/h1-2,4H,3H2,(H2,10,16)(H,13,15)(H,11,12,14)
Definition date:2013-05-10
Last modified:2013-09-13
Release date:2013-09-18
Identifier:2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide
1UX
1UX
Name:1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol
Formula:C22 H29 N5 O3 S2
SMILES:n1c(c(sc1c2cc(OCC(O)(C)C)c(OC)cc2)CCC)CSc3nc(N)cc(n3)N
InChi:InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
Definition date:2013-06-13
Last modified:2013-09-13
Release date:2013-09-18
Identifier:1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol
1W0
1W0
Name:(3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine
Formula:C16 H16 N4 O2
SMILES:N1=C(OC4C1(c3cccc(c2cncnc2)c3)CCOC4)N
InChi:InChI=1S/C16H16N4O2/c17-15-20-16(4-5-21-9-14(16)22-15)13-3-1-2-11(6-13)12-7-18-10-19-8-12/h1-3,6-8,10,14H,4-5,9H2,(H2,17,20)/t14-,16-/m1/s1
Definition date:2013-06-25
Last modified:2013-09-13
Release date:2013-09-18
Identifier:(3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine
1W1
1W1
Name:2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile
Formula:C18 H15 F2 N5 O
SMILES:Fc1ccc(c(F)c1)C42N=C(OC2CN(c3ncccc3C#N)CC4)N
InChi:InChI=1S/C18H15F2N5O/c19-12-3-4-13(14(20)8-12)18-5-7-25(10-15(18)26-17(22)24-18)16-11(9-21)2-1-6-23-16/h1-4,6,8,15H,5,7,10H2,(H2,22,24)/t15-,18-/m1/s1
Definition date:2013-06-25
Last modified:2013-09-13
Release date:2013-09-18
Identifier:2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile
1W2
1W2
Name:2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile
Formula:C18 H15 F2 N5 O
SMILES:N#Cc4cccnc4N1CC2(N=C(OC2CC1)N)c3ccc(F)cc3F
InChi:InChI=1S/C18H15F2N5O/c19-12-3-4-13(14(20)8-12)18-10-25(7-5-15(18)26-17(22)24-18)16-11(9-21)2-1-6-23-16/h1-4,6,8,15H,5,7,10H2,(H2,22,24)/t15-,18-/m1/s1
Definition date:2013-06-25
Last modified:2013-09-13
Release date:2013-09-18
Identifier:2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile
1WP
1WP
Name:(3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
Formula:C18 H18 Cl N3 O
SMILES:Clc1cc(cnc1)c2cccc(c2)C34N=C(OC4CCCC3)N
InChi:InChI=1S/C18H18ClN3O/c19-15-9-13(10-21-11-15)12-4-3-5-14(8-12)18-7-2-1-6-16(18)23-17(20)22-18/h3-5,8-11,16H,1-2,6-7H2,(H2,20,22)/t16-,18-/m1/s1
Definition date:2013-07-11
Last modified:2013-09-13
Release date:2013-09-18
Identifier:(3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
1ZQ
1ZQ
Name:5,6-bis(4-fluorophenyl)pyridine-2,3-diol
Formula:C17 H11 F2 N O2
SMILES:Fc3ccc(c2nc(O)c(O)cc2c1ccc(F)cc1)cc3
InChi:InChI=1S/C17H11F2NO2/c18-12-5-1-10(2-6-12)14-9-15(21)17(22)20-16(14)11-3-7-13(19)8-4-11/h1-9,21H,(H,20,22)
Definition date:2013-08-12
Last modified:2013-09-13
Release date:2013-09-18
Identifier:5,6-bis(4-fluorophenyl)pyridine-2,3-diol

224931

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