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TDB
TDB
Name:6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL
Formula:C9 H13 B N2 O3 S2
SMILES:O=S(=O)(N1N=Cc2sc(cc2B1O)C)CCC
InChi:InChI=1S/C9H13BN2O3S2/c1-3-4-17(14,15)12-10(13)8-5-7(2)16-9(8)6-11-12/h5-6,13H,3-4H2,1-2H3
Synonyms:Diazaborine
Definition date:1999-07-08
Last modified:2021-06-23
Identifier:6-methyl-2-(propylsulfonyl)thieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol
XFV
XFV
Name:1lambda~6~-thietane-1,1-dione
Formula:C3 H6 O2 S
SMILES:O=S1(CCC1)=O
InChi:InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:1lambda~6~-thietane-1,1-dione
XGJ
XGJ
Name:(3S)-1,2,4-triazolidin-3-amine
Formula:C2 H8 N4
SMILES:NC1NNCN1
InChi:InChI=1S/C2H8N4/c3-2-4-1-5-6-2/h2,4-6H,1,3H2/t2-/m1/s1
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(3S)-1,2,4-triazolidin-3-amine
XGS
XGS
Name:1lambda~6~,2-thiazetidine-1,1-dione
Formula:C2 H5 N O2 S
SMILES:O=S1(NCC1)=O
InChi:InChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:1lambda~6~,2-thiazetidine-1,1-dione
XGV
XGV
Name:pyridazin-3-amine
Formula:C4 H5 N3
SMILES:Nc1nnccc1
InChi:InChI=1S/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7)
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:pyridazin-3-amine
XGY
XGY
Name:(4S)-1-methylimidazolidin-4-amine
Formula:C4 H11 N3
SMILES:CN1CC(NC1)N
InChi:InChI=1S/C4H11N3/c1-7-2-4(5)6-3-7/h4,6H,2-3,5H2,1H3/t4-/m0/s1
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(4S)-1-methylimidazolidin-4-amine
XH1
XH1
Name:N-propan-2-ylurea
Formula:C4 H10 N2 O
SMILES:CC(C)NC(N)=O
InChi:InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:N-propan-2-ylurea
XH4
XH4
Name:[(3R)-pyrazolidin-3-yl]methanol
Formula:C4 H10 N2 O
SMILES:OCC1NNCC1
InChi:InChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:[(3R)-pyrazolidin-3-yl]methanol
XH7
XH7
Name:(3R)-thiolane-3-carboxylic acid
Formula:C5 H8 O2 S
SMILES:O=C(O)C1CSCC1
InChi:InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(3R)-thiolane-3-carboxylic acid
XHD
XHD
Name:2-cyanoacetamide
Formula:C3 H4 N2 O
SMILES:N#CCC(N)=O
InChi:InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:2-cyanoacetamide
XHG
XHG
Name:1-[(2R)-oxolan-2-yl]methanamine
Formula:C5 H11 N O
SMILES:NCC1OCCC1
InChi:InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:1-[(2R)-oxolan-2-yl]methanamine
XHJ
XHJ
Name:(3S)-pyrazolidin-3-amine
Formula:C3 H9 N3
SMILES:NC1NNCC1
InChi:InChI=1S/C3H9N3/c4-3-1-2-5-6-3/h3,5-6H,1-2,4H2/t3-/m0/s1
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(3S)-pyrazolidin-3-amine
XJJ
XJJ
Name:piperazin-2-one
Formula:C4 H8 N2 O
SMILES:O=C1NCCNC1
InChi:InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)
Definition date:2020-12-17
Last modified:2021-06-18
Release date:2021-06-23
Identifier:piperazin-2-one
XJM
XJM
Name:5-methyl-1H-tetrazole
Formula:C2 H4 N4
SMILES:Cc1nnnn1
InChi:InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
Definition date:2020-12-17
Last modified:2021-06-18
Release date:2021-06-23
Identifier:5-methyl-1H-tetrazole
XJP
XJP
Name:(2S,4R)-1,3-thiazolidine-2,4-diamine
Formula:C3 H9 N3 S
SMILES:NC1NC(SC1)N
InChi:InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1
Definition date:2020-12-17
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(2S,4R)-1,3-thiazolidine-2,4-diamine
XJV
XJV
Name:imidazolidin-2-one
Formula:C3 H6 N2 O
SMILES:O=C1NCCN1
InChi:InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
Definition date:2020-12-17
Last modified:2021-06-18
Release date:2021-06-23
Identifier:imidazolidin-2-one
XJY
XJY
Name:cyclobutylboronic acid
Formula:C4 H9 B O2
SMILES:OB(O)C1CCC1
InChi:InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2
Definition date:2020-12-17
Last modified:2021-06-18
Release date:2021-06-23
Identifier:cyclobutylboronic acid
XK1
XK1
Name:1-[(4R)-1,3-oxazolidin-4-yl]methanamine
Formula:C4 H10 N2 O
SMILES:NCC1NCOC1
InChi:InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1
Definition date:2020-12-17
Last modified:2021-06-18
Release date:2021-06-23
Identifier:1-[(4R)-1,3-oxazolidin-4-yl]methanamine
XK4
XK4
Name:(3R)-1,2-oxazolidin-3-amine
Formula:C3 H8 N2 O
SMILES:NC1NOCC1
InChi:InChI=1S/C3H8N2O/c4-3-1-2-6-5-3/h3,5H,1-2,4H2/t3-/m1/s1
Definition date:2020-12-17
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(3R)-1,2-oxazolidin-3-amine
XK7
XK7
Name:1-aminocyclopropane-1-carboxamide
Formula:C4 H8 N2 O
SMILES:NC(=O)C1(CC1)N
InChi:InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7)
Definition date:2020-12-17
Last modified:2021-06-18
Release date:2021-06-23
Identifier:1-aminocyclopropane-1-carboxamide
XKD
XKD
Name:N-methyl-D-alaninamide
Formula:C4 H10 N2 O
SMILES:CNC(=O)C(C)N
InChi:InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1
Definition date:2020-12-17
Last modified:2021-06-18
Release date:2021-06-23
Identifier:N-methyl-D-alaninamide
XKS
XKS
Name:azetidin-3-ol
Formula:C3 H7 N O
SMILES:OC1CNC1
InChi:InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2
Definition date:2020-12-18
Last modified:2021-06-18
Release date:2021-06-23
Identifier:azetidin-3-ol
XKY
XKY
Name:(4S)-imidazolidine-4-carbonitrile
Formula:C4 H7 N3
SMILES:N#CC1NCNC1
InChi:InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h4,6-7H,2-3H2
Definition date:2020-12-18
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(4S)-imidazolidine-4-carbonitrile
XZM
XZM
Name:N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
Formula:C42 H40 F3 N7 O7 S5
SMILES:N1(Cc2c(CC1)cccc2C(=O)Nc4nc3c(cccc3)s4)c8scc(C(NS(c5cc(S(=O)(C(F)(F)F)=O)c(cc5)NC(CCN6CCOCC6)CSc7ccccc7)(=O)=O)=O)n8
InChi:InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1
Definition date:2021-01-22
Last modified:2021-06-18
Release date:2021-06-23
Identifier:N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
Y36
Y36
Name:N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide
Formula:C29 H30 N6 O3 S
SMILES:c2(cc(C1=CN(C(C(=C1)NC)=O)C)cc3c2ccn3C(c4ncccc4)(c5ncccc5)C)NS(CC)(=O)=O
InChi:InChI=1S/C29H30N6O3S/c1-5-39(37,38)33-23-16-20(21-17-24(30-3)28(36)34(4)19-21)18-25-22(23)12-15-35(25)29(2,26-10-6-8-13-31-26)27-11-7-9-14-32-27/h6-19,30,33H,5H2,1-4H3
Definition date:2020-07-30
Last modified:2021-06-18
Release date:2021-06-23
Identifier:N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide

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