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WC7
WC7
Name:6-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6H)-thione
Formula:C12 H14 N O6 P S2
SMILES:C1=Cc3c(C(N1C2OC(C(C2)O)COP(=O)(O)O)=S)scc3
InChi:InChI=1S/C12H14NO6PS2/c14-8-5-10(19-9(8)6-18-20(15,16)17)13-3-1-7-2-4-22-11(7)12(13)21/h1-4,8-10,14H,5-6H2,(H2,15,16,17)/t8-,9+,10+/m0/s1
Definition date:2020-10-12
Last modified:2021-06-18
Release date:2021-06-23
Identifier:6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)thieno[2,3-c]pyridine-7(6H)-thione
WCG
WCG
Name:(1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol
Formula:C16 H21 O14 P3
SMILES:COc2cc1ccccc1cc2C3C(C(C(COP(=O)(O)OP(O)(=O)OP(O)(O)=O)O3)O)O
InChi:InChI=1S/C16H21O14P3/c1-26-12-7-10-5-3-2-4-9(10)6-11(12)16-15(18)14(17)13(28-16)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-7,13-18H,8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t13-,14-,15-,16+/m1/s1
Definition date:2020-10-13
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol
V31
V31
Name:5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid
Formula:C14 H12 Br N O4 S
SMILES:OC(=O)c1cc(Br)ccc1N[S](=O)(=O)Cc2ccccc2
InChi:InChI=1S/C14H12BrNO4S/c15-11-6-7-13(12(8-11)14(17)18)16-21(19,20)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)
Definition date:2020-06-10
Last modified:2021-06-18
Release date:2021-06-23
Identifier:5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid
J9R
J9R
Name:4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
Formula:C20 H20 F3 N5 O2
SMILES:Cn1cc(cn1)c2cc(nc3cc(CN4CCO[CH](C4)C(F)(F)F)ccc23)C(N)=O
InChi:InChI=1S/C20H20F3N5O2/c1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)/t18-/m0/s1
Definition date:2021-04-30
Last modified:2021-06-18
Release date:2021-06-23
Identifier:4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
J9U
J9U
Name:(8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide
Formula:C21 H21 F2 N5 O
SMILES:C[CH]1N(CCc2c1nc(cc2c3ccc(F)cc3F)C(N)=O)Cc4ccnn4C
InChi:InChI=1S/C21H21F2N5O/c1-12-20-16(6-8-28(12)11-14-5-7-25-27(14)2)17(10-19(26-20)21(24)29)15-4-3-13(22)9-18(15)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,24,29)/t12-/m1/s1
Definition date:2021-04-30
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide
WG1
WG1
Name:6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:C20 H27 F2 N5 O4 S
SMILES:c2nc(NC1CCN(CC1)S(C)(=O)=O)nc3c2C=C(C(N3C4CCCC4(C)O)=O)C(F)F
InChi:InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1
Definition date:2020-10-27
Last modified:2021-06-18
Release date:2021-06-23
Identifier:6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
V41
V41
Name:(2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide
Formula:C9 H11 N5 O
SMILES:N(=N/C(C(N)=O)/C(N)=N)c1ccccc1
InChi:InChI=1S/C9H11N5O/c10-8(11)7(9(12)15)14-13-6-4-2-1-3-5-6/h1-5,7H,(H3,10,11)(H2,12,15)/b14-13+/t7-/m1/s1
Definition date:2020-06-22
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide
XEA
XEA
Name:(3R)-1,2-oxazolidine-3-carbonitrile
Formula:C4 H6 N2 O
SMILES:N#CC1NOCC1
InChi:InChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h4,6H,1-2H2
Definition date:2020-12-14
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(3R)-1,2-oxazolidine-3-carbonitrile
XEJ
XEJ
Name:(3R)-3-aminobutanamide
Formula:C4 H10 N2 O
SMILES:CC(N)CC(N)=O
InChi:InChI=1S/C4H10N2O/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1
Definition date:2020-12-14
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(3R)-3-aminobutanamide
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
YV4
YV4
Name:(3S)-3-aminopyrrolidin-2-one
Formula:C4 H8 N2 O
SMILES:O=C1NCCC1N
InChi:InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
Definition date:2021-04-01
Last modified:2021-06-18
Release date:2021-06-23
Identifier:(3S)-3-aminopyrrolidin-2-one
XGM
XGM
Name:N-hydroxypropanamide
Formula:C3 H7 N O2
SMILES:CCC(=O)NO
InChi:InChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)
Definition date:2020-12-16
Last modified:2021-06-18
Release date:2021-06-23
Identifier:N-hydroxypropanamide
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
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
YXA
YXA
Name:5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
Formula:C15 H12 Br N O3
SMILES:OC(=O)c1cc(Cn2ccc3ccc(Br)cc32)oc1C
InChi:InChI=1S/C15H12BrNO3/c1-9-13(15(18)19)7-12(20-9)8-17-5-4-10-2-3-11(16)6-14(10)17/h2-7H,8H2,1H3,(H,18,19)
Definition date:2021-04-05
Last modified:2021-06-18
Release date:2021-06-23
Identifier:5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
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

224931

数据于2024-09-11公开中

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