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EX0

EX0
Name:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine
Formula:	C26 H29 F N8 O
SMILES:	CCOc1nc(N)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6
InChi:	InChI=1S/C26H29FN8O/c1-3-36-26-31-23(28)22-25(32-26)35(24(30-22)18-8-19(27)11-29-10-18)13-17-6-4-16(5-7-17)12-34-15-20-9-21(34)14-33(20)2/h4-8,10-11,20-21H,3,9,12-15H2,1-2H3,(H2,28,31,32)/t20-,21-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine

EX3

EX3
Name:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine
Formula:	C27 H30 F N7 O
SMILES:	CCOc1nc(C)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6
InChi:	InChI=1S/C27H30FN7O/c1-4-36-27-30-17(2)24-26(32-27)35(25(31-24)20-9-21(28)12-29-11-20)14-19-7-5-18(6-8-19)13-34-16-22-10-23(34)15-33(22)3/h5-9,11-12,22-23H,4,10,13-16H2,1-3H3/t22-,23-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine

F5A

F5A
Name:	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid
Formula:	C17 H15 Cl O4
SMILES:	C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O
InChi:	InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
Definition date:	2019-01-23
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid

RUZ

RUZ
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
Formula:	C16 H23 N5 O9 S
SMILES:	N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23
InChi:	InChI=1S/C16H23N5O9S/c17-8-1-7(3-22)2-10-12(8)21(6-19-10)16-14(25)13(24)11(30-16)5-29-31(27,28)20-15(26)9(18)4-23/h1-2,6,9,11,13-14,16,22-25H,3-5,17-18H2,(H,20,26)/t9-,11+,13+,14+,16+/m0/s1
Synonyms:	SerS7HMDDA
Definition date:	2020-10-21
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate

UA7

UA7
Name:	Brodifacoum
Formula:	C31 H23 Br O3
SMILES:	C4C(c2ccc(c1ccc(cc1)Br)cc2)Cc3ccccc3C4C=5C(Oc6c(C=5O)cccc6)=O
InChi:	InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23-,27-/m1/s1
Synonyms:	3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one
Definition date:	2020-05-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one

UAJ

UAJ
Name:	Chlorophacinone
Formula:	C23 H15 Cl O3
SMILES:	c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1
Synonyms:	2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
Definition date:	2020-05-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione

UAV

UAV
Name:	(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione
Formula:	C31 H48 O3
SMILES:	c12c(cccc1)C(=O)C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C2=O)C)O
InChi:	InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23?,24-,26-,31+/m0/s1
Definition date:	2020-05-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione

GB9

GB9
Name:	N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide
Formula:	C12 H8 Cl F N2 O
SMILES:	Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2
InChi:	InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
Synonyms:	ztz240
Definition date:	2020-08-17
Last modified:	2020-11-05
Release date:	2020-09-16
Identifier:	~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide

VFG

VFG
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C5 H8 N4 O3 S2
SMILES:	CCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:	InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)
Definition date:	2020-08-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

VFJ

VFJ
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
Formula:	C6 H10 N4 O3 S2
SMILES:	C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:	InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
Definition date:	2020-08-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide

VFM

VFM
Name:	2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C6 H10 N4 O3 S2
SMILES:	CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:	InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11)
Definition date:	2020-08-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

VGS

VGS
Name:	2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C7 H12 N4 O3 S2
SMILES:	CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C
InChi:	InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
Definition date:	2020-08-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

VGV

VGV
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Formula:	C9 H14 N4 O3 S2
SMILES:	C2CC(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2
InChi:	InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14)
Definition date:	2020-08-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

WFY

WFY
Name:	4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
Formula:	C15 H18 Cl F N4 O
SMILES:	Clc1cc(C(=O)N)nc2c1c(C)cn2C(C)C3(CNCC3)F
InChi:	InChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1
Definition date:	2020-10-27
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

FB9

FB9
Name:	(3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Formula:	C34 H37 N3 O5
SMILES:	COC[CH]1[CH]([CH]2CN(C[CH](O)[CH](O)CN12)C(=O)Nc3ccc(OC4CC4)cc3)c5ccc(cc5)C#Cc6ccccc6
InChi:	InChI=1S/C34H37N3O5/c1-41-22-30-33(25-11-9-24(10-12-25)8-7-23-5-3-2-4-6-23)29-19-36(20-31(38)32(39)21-37(29)30)34(40)35-26-13-15-27(16-14-26)42-28-17-18-28/h2-6,9-16,28-33,38-39H,17-22H2,1H3,(H,35,40)/t29-,30+,31+,32-,33+/m0/s1
Definition date:	2020-04-27
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	(3~{S},4~{R},8~{R},9~{R},10~{S})-~{N}-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

EL6

EL6
Name:	[(2S)-2-octadecanoyloxypropyl] octadecanoate
Formula:	C39 H76 O4
SMILES:	CCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1
Definition date:	2020-01-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	[(2~{S})-2-octadecanoyloxypropyl] octadecanoate

N28

N28
Name:	4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide
Formula:	C20 H26 N4 O4
SMILES:	NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
InChi:	InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26)
Definition date:	2019-11-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide

E6O

E6O
Name:	5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide
Formula:	C21 H21 Cl N4 O5 S
SMILES:	C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)cc1C(N)=O)C2=NNC(=O)O2)c3cccc4CCCc34
InChi:	InChI=1S/C21H21ClN4O5S/c1-11(14-6-2-4-12-5-3-7-15(12)14)18(20-24-25-21(28)31-20)26-32(29,30)17-9-8-13(22)10-16(17)19(23)27/h2,4,6,8-11,18,26H,3,5,7H2,1H3,(H2,23,27)(H,25,28)/t11-,18+/m1/s1
Definition date:	2019-11-06
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	5-chloranyl-2-[[(1~{S},2~{R})-2-(2,3-dihydro-1~{H}-inden-4-yl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide

GYX

GYX
Name:	N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
Formula:	C27 H31 N3 O2
SMILES:	C[CH](N1CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4ccccc34
InChi:	InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
Definition date:	2020-10-09
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide

QOQ

QOQ
Name:	5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:	C18 H19 Cl F2 N6
SMILES:	Cc1cc(CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1
InChi:	InChI=1S/C18H19ClF2N6/c1-11-5-12(6-16(19)24-11)8-26-4-2-3-13(9-26)15-7-14(17(20)21)25-18-22-10-23-27(15)18/h5-7,10,13,17H,2-4,8-9H2,1H3/t13-/m0/s1
Definition date:	2020-07-13
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

QTT

QTT
Name:	2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid
Formula:	C23 H32 N4 O2
SMILES:	CN(Cc1cccc(C)n1)[CH]2CCCC[CH]2N(CC(O)=O)Cc3cccc(C)n3
InChi:	InChI=1S/C23H32N4O2/c1-17-8-6-10-19(24-17)14-26(3)21-12-4-5-13-22(21)27(16-23(28)29)15-20-11-7-9-18(2)25-20/h6-11,21-22H,4-5,12-16H2,1-3H3,(H,28,29)/t21-,22-/m0/s1
Definition date:	2020-08-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid

R4P

R4P
Name:	1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid
Formula:	C21 H17 N3 O2
SMILES:	c1(cc(cc2c1n(C)nn2)c3ccc(cc3)c4c(cccc4)C)C(=O)O
InChi:	InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26)
Definition date:	2020-01-30
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid

R6K

R6K
Name:	2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
Formula:	C34 H41 N7 O2
SMILES:	CN1CCN(CC1)Cc2ccc(cc2)c3ccc(CO[CH]4CCC[CH]4NC(=O)c5cc(cnc5N)c6cnn(C)c6)cc3
InChi:	InChI=1S/C34H41N7O2/c1-39-14-16-41(17-15-39)21-24-6-10-26(11-7-24)27-12-8-25(9-13-27)23-43-32-5-3-4-31(32)38-34(42)30-18-28(19-36-33(30)35)29-20-37-40(2)22-29/h6-13,18-20,22,31-32H,3-5,14-17,21,23H2,1-2H3,(H2,35,36)(H,38,42)/t31-,32-/m0/s1
Definition date:	2020-09-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

ROY

ROY
Name:	3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
Formula:	C17 H20 Cl2 N4 O
SMILES:	C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(=O)N)CC4CCNCC4
InChi:	InChI=1S/C17H20Cl2N4O/c18-11-7-12(16(20)24)22-17-13(11)14(19)15(10-1-2-10)23(17)8-9-3-5-21-6-4-9/h7,9-10,21H,1-6,8H2,(H2,20,24)
Definition date:	2020-02-18
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

RP7

RP7
Name:	(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol
Formula:	C6 H11 N O
SMILES:	CN1CC=CC(C1)O
InChi:	InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1
Definition date:	2020-02-18
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol

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數據於2025-11-19公開中

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