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QEI

QEI
Name:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C12 H15 N5 O3
SMILES:	O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O
InChi:	InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1
Synonyms:	queuine
Definition date:	2007-12-13
Last modified:	2021-03-01
Identifier:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

T98

T98
Name:	5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
Formula:	C16 H15 N3 O S
SMILES:	N#Cc3ccc(c1ccc2NC(=S)OC(c2c1)(C)C)n3C
InChi:	InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
Synonyms:	TANAPROGET
Definition date:	2005-06-17
Last modified:	2021-03-01
Identifier:	5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile

41M

41M
Name:	N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide
Formula:	C16 H29 N5 O3 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)N)N
InChi:	InChI=1S/C16H29N5O3S/c17-10(15(18)23)5-3-4-8-19-13(22)7-2-1-6-12-14-11(9-25-12)20-16(24)21-14/h10-12,14H,1-9,17H2,(H2,18,23)(H,19,22)(H2,20,21,24)/t10-,11-,12-,14-/m0/s1
Synonyms:	N-epsilon-Biotinyl-lysine-amid
Definition date:	2015-01-13
Last modified:	2021-03-01
Release date:	2015-03-04
Identifier:	N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide

41U

41U
Name:	nisoxetine
Formula:	C17 H21 N O2
SMILES:	O(c1ccccc1OC)C(c2ccccc2)CCNC
InChi:	InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3/t15-/m0/s1
Synonyms:	(3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
Definition date:	2015-01-16
Last modified:	2021-03-01
Release date:	2015-05-13
Identifier:	(3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine

421

421
Name:	6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER
Formula:	C21 H19 N3 O4
SMILES:	O=C(OC)c2cc1c(cc(C(=[N@H])N)cc1)c(c2)NC(=O)c3cccc(O)c3C
InChi:	InChI=1S/C21H19N3O4/c1-11-15(4-3-5-18(11)25)20(26)24-17-10-14(21(27)28-2)8-12-6-7-13(19(22)23)9-16(12)17/h3-10,25H,1-2H3,(H3,22,23)(H,24,26)
Synonyms:	METHYL 6-[AMINO(IMINO)METHYL]-4-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-2-NAPHTHOATE
Definition date:	2005-06-02
Last modified:	2021-03-01
Identifier:	methyl 6-carbamimidoyl-4-{[(3-hydroxy-2-methylphenyl)carbonyl]amino}naphthalene-2-carboxylate

429

429
Name:	2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
Formula:	C25 H30 N2 O10
SMILES:	O=C(OC)c2c(O)cccc2OCCCCNC(=O)C(NC(=O)C)Cc1ccc(OCC(=O)O)c(O)c1
InChi:	InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)/t17-/m0/s1
Synonyms:	COMPOUND 20
Definition date:	2003-09-16
Last modified:	2021-03-01
Identifier:	{4-[(2S)-2-(acetylamino)-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]-2-hydroxyphenoxy}acetic acid

42U

42U
Name:	4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline
Formula:	C22 H23 F4 N5
SMILES:	FC(F)(F)c4c(NCCN1CCNCC1)ccc(c3cnnc3c2ccc(F)cc2)c4
InChi:	InChI=1S/C22H23F4N5/c23-17-4-1-15(2-5-17)21-18(14-29-30-21)16-3-6-20(19(13-16)22(24,25)26)28-9-12-31-10-7-27-8-11-31/h1-6,13-14,27-28H,7-12H2,(H,29,30)
Synonyms:	CBR-9393
Definition date:	2015-01-23
Last modified:	2021-03-01
Release date:	2015-07-22
Identifier:	4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline

TAK

TAK
Name:	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
Formula:	C24 H25 N5 O
SMILES:	O(c4ccc(c2cn3ncc(c1ccncc1)c3nc2)cc4)CCN5CCCCC5
InChi:	InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
Synonyms:	Dorsomorphin
Definition date:	2008-01-21
Last modified:	2021-03-01
Identifier:	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

TAP

TAP
Name:	7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Formula:	C21 H28 N7 O16 P3 S
SMILES:	NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	TATP
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate

TAX

TAX
Name:	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM
Formula:	C26 H30 N O
SMILES:	O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C
InChi:	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+
Synonyms:	CIS FORM OF TAMOXIFEN
Definition date:	2000-08-14
Last modified:	2021-03-01
Identifier:	2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium

TAY

TAY
Name:	2,2-dimethylpropanamide
Formula:	C5 H11 N O
SMILES:	CC(C)(C)C(N)=O
InChi:	InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
Synonyms:	Trimethylacetamide
Definition date:	2009-10-07
Last modified:	2021-03-01
Identifier:	2,2-dimethylpropanamide

TBH

TBH
Name:	5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID
Formula:	C31 H47 N3 O9
SMILES:	O=C(O)c1cc(ccc1OCC(=O)O)CC(NC(O)C(NC(O)OC(C)(C)C)Cc2ccccc2)C(O)NCCCCC
InChi:	InChI=1S/C31H47N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24,27-28,30,32-34,37-38,41H,5-6,10,15,17-19H2,1-4H3,(H,35,36)(H,39,40)/t23-,24-,27+,28-,30-/m0/s1
Synonyms:	PNU177836
Definition date:	2001-06-26
Last modified:	2021-03-01
Identifier:	5-[(2S,3R)-2-{[(1S,2S)-2-{[(S)-tert-butoxy(hydroxy)methyl]amino}-1-hydroxy-3-phenylpropyl]amino}-3-hydroxy-3-(pentylamino)propyl]-2-(carboxymethoxy)benzoic acid

43X

43X
Name:	[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
Formula:	C8 H11 F N3 O6 P S
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)CS2
InChi:	InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1
Synonyms:	FTC-MP
Definition date:	2015-02-03
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate

TBL

TBL
Name:	N-[(4-methoxyphenyl)sulfonyl]-D-alanine
Formula:	C10 H13 N O5 S
SMILES:	O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C
InChi:	InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1
Synonyms:	(R)-2-(4-methoxyphenylsulfonamido)propanoic acid
Definition date:	2008-09-18
Last modified:	2021-03-01
Identifier:	N-[(4-methoxyphenyl)sulfonyl]-D-alanine

TBQ

TBQ
Name:	(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Formula:	C16 H22 Cl N3 O
SMILES:	CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2
InChi:	InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m0/s1
Synonyms:	(R)-tebuconazole
Definition date:	2015-10-20
Last modified:	2021-03-01
Release date:	2016-02-10
Identifier:	(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

TBR

TBR
Name:	HEXATANTALUM DODECABROMIDE
Formula:	Br12 Ta6
SMILES:	Br\|1[Ta]\|2\|3\|4\|5\|Br[Ta]\|6\|7\|89%10\|2\|Br[Ta]\|%11\|%12\|%13\|%14\|1\|3\|6Br\|[Ta]\|%15\|%16\|%17\|7\|%11(Br\|[Ta]\|%18\|4\|%12\|%15(Br\|%13)(Br\|%14)\|Br[Ta]\|5\|8\|%16\|%18(\|Br9)(Br)Br\|%17)\|Br%10
InChi:	InChI=1S/12BrH.6Ta/h12*1H
Synonyms:	DODECABROMOHEXATANTALUM
Definition date:	1999-11-12
Last modified:	2021-03-01

TBY

TBY
Name:	tributylstannanyl
Formula:	C12 H27 Sn
SMILES:	[Sn](CCCC)(CCCC)CCCC
InChi:	InChI=1S/3C4H9.Sn.H/c3*1-3-4-2
Synonyms:	tributyltin
Definition date:	2008-09-05
Last modified:	2021-03-01
Identifier:	tributylstannane

44D

44D
Name:	7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE
Formula:	C32 H37 N O13
SMILES:	O=C2c1c(O)c6c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)CO)CC6OC5OC(C(OC4OC(C)C(O)C(N)C4)C(O)C5)C
InChi:	InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1
Synonyms:	4'-(O-ALPHA-L-DAUNOSAMINYL)-4-DEMETHOXYDOXORUBICIN
Definition date:	2002-12-16
Last modified:	2021-03-01
Identifier:	(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-alpha-L-lyxo-hexopyranoside

TCE

TCE
Name:	3,3',3''-phosphanetriyltripropanoic acid
Formula:	C9 H15 O6 P
SMILES:	O=C(O)CCP(CCC(=O)O)CCC(=O)O
InChi:	InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
Synonyms:	3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
Definition date:	2009-01-12
Last modified:	2021-03-01
Identifier:	3,3',3''-phosphanetriyltripropanoic acid

TCF

TCF
Name:	3-(4-BROMOPHENYL)PROPANAMIDE
Formula:	C9 H10 Br N O
SMILES:	Brc1ccc(cc1)CCC(=O)N
InChi:	InChI=1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12)
Synonyms:	PARA-BROMO-CIS-2-PHENYLCYCLOPROPYL-1-AMINE
Definition date:	2010-03-31
Last modified:	2021-03-01
Identifier:	3-(4-bromophenyl)propanamide

TCI

TCI
Name:	(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
Formula:	C21 H30 O2
SMILES:	CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1
InChi:	InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
Synonyms:	Tetrahydrocannabinol
Definition date:	2010-02-23
Last modified:	2021-03-01
Identifier:	(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]isochromen-1-ol

TCU

TCU
Name:	5-HEXYL-2-(2-METHYLPHENOXY)PHENOL
Formula:	C19 H24 O2
SMILES:	O(c1c(cccc1)C)c2ccc(cc2O)CCCCCC
InChi:	InChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3
Synonyms:	2-(O-TOLYLOXY)-5-HEXYLPHENOL
Definition date:	2010-01-10
Last modified:	2021-03-01
Identifier:	5-hexyl-2-(2-methylphenoxy)phenol

460

460
Name:	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
Formula:	C17 H15 N5
SMILES:	n1c(cccc1C4=C(c3nc2c(nccc2)cc3)CNN4)C
InChi:	InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3
Synonyms:	NAPHTHYRIDINE INHIBITOR
Definition date:	2004-04-21
Last modified:	2021-03-01
Identifier:	2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]-1,5-naphthyridine

TDK

TDK
Name:	3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Formula:	C15 H26 N4 O11 P3 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(P(=O)(OC)O)C
InChi:	InChI=1S/C15H25N4O11P3S/c1-9-12(5-6-29-33(26,27)30-32(23,24)25)34-14(15(3,20)31(21,22)28-4)19(9)8-11-7-17-10(2)18-13(11)16/h7,20H,5-6,8H2,1-4H3,(H5-,16,17,18,21,22,23,24,25,26,27)/p+1/t15-/m0/s1
Synonyms:	2-PHOSPHONOLACTYLTHIAMIN DIPHOSPHATE
Definition date:	2005-12-01
Last modified:	2021-03-01
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

TDL

TDL
Name:	3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Formula:	C15 H23 N4 O10 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(C(=O)O)C
InChi:	InChI=1S/C15H22N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,22H,4-5,7H2,1-3H3,(H5-,16,17,18,20,21,23,24,25,26,27)/p+1/t15-/m1/s1
Synonyms:	2-LACTYLTHIAMIN DIPHOSPHATE
Definition date:	2005-12-01
Last modified:	2021-03-01
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1S)-1-carboxy-1-hydroxyethyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

<645 646 647 648 649 650 651652653 654 655 656 657 658 659 660 >

238582

數據於2025-07-09公開中

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