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3ML

3ML
Name:	[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Formula:	C7 H8 O4
SMILES:	O=C1OC(C(=C1)C)CC(=O)O
InChi:	InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)/t5-/m0/s1
Synonyms:	3-methylmuconolactone
Definition date:	2009-05-14
Last modified:	2021-03-01
Identifier:	[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid

TTF

TTF
Name:	4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE
Formula:	C8 H5 F3 O2 S
SMILES:	O=C(c1sccc1)CC(=O)C(F)(F)F
InChi:	InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
Synonyms:	2-THENOYLTRIFLUOROACETONE
Definition date:	2005-05-18
Last modified:	2021-03-01
Identifier:	4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione

QZM

QZM
Name:	2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide
Formula:	C25 H28 N4 O7
SMILES:	c1(ccc(cc1OC)CCNC(=O)C3=C(C(=O)NC(C(C)(C)NC(=O)OCc2ccccc2)=N3)O)O
InChi:	InChI=1S/C25H28N4O7/c1-25(2,29-24(34)36-14-16-7-5-4-6-8-16)23-27-19(20(31)22(33)28-23)21(32)26-12-11-15-9-10-17(30)18(13-15)35-3/h4-10,13,30-31H,11-12,14H2,1-3H3,(H,26,32)(H,29,34)(H,27,28,33)
Synonyms:	SJ000986192
Definition date:	2020-01-17
Last modified:	2021-03-01
Release date:	2021-02-10
Identifier:	benzyl [2-(5-hydroxy-4-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

TTG

TTG
Name:	2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID
Formula:	C23 H25 N3 O6
SMILES:	O=C(O)C(O)(C=4C=C3c2nc1ccc(O)c(c1cc2CN3C(=O)C=4CO)CN(C)C)CC
InChi:	InChI=1S/C23H25N3O6/c1-4-23(32,22(30)31)16-8-18-20-12(9-26(18)21(29)15(16)11-27)7-13-14(10-25(2)3)19(28)6-5-17(13)24-20/h5-8,27-28,32H,4,9-11H2,1-3H3,(H,30,31)/t23-/m0/s1
Synonyms:	HYDROLYZED PRODUCT OF TOPOTECAN
Definition date:	2002-01-15
Last modified:	2021-03-01
Identifier:	(2S)-2-{1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid

TTI

TTI
Name:	2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
Formula:	C9 H13 N2 O8 P Te
SMILES:	[Te]=C2C(=O)NC(=O)N(C1OC(C(O)C1)COP(=O)(O)O)C2
InChi:	InChI=1S/C9H13N2O8PTe/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h4-5,7,12H,1-3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1
Synonyms:	5-Tellurium-deoxyuridine-5'-phosphate
Definition date:	2008-12-03
Last modified:	2021-03-01
Identifier:	2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)

QZP

QZP
Name:	4-(2-methylpropyl)benzoic acid
Formula:	C11 H14 O2
SMILES:	c1c(CC(C)C)ccc(C(O)=O)c1
InChi:	InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
Synonyms:	4-isobutylbenzoic acid
Definition date:	2020-01-20
Last modified:	2021-03-01
Release date:	2021-01-20
Identifier:	4-(2-methylpropyl)benzoic acid

QLT

QLT
Name:	Triethyltin bromide
Formula:	C6 H15 Br Sn
SMILES:	CC[Sn](Br)(CC)CC
InChi:	InChI=1S/3C2H5.BrH.Sn/c3*1-2
Synonyms:	bromanyl(triethyl)stannane
Definition date:	2020-06-29
Last modified:	2021-03-01
Release date:	2020-11-18
Identifier:	bromanyl(triethyl)stannane

NC3

NC3
Name:	N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE
Formula:	C9 H16 N2 O3
SMILES:	O=C(NC1CCCCC1)NCC(=O)O
InChi:	InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
Synonyms:	4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID
Definition date:	2005-04-21
Last modified:	2021-03-01
Identifier:	N-(cyclohexylcarbamoyl)glycine

RFE

RFE
Name:	L-Methionine Tenofovir
Formula:	C14 H23 N6 O5 P S
SMILES:	CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N)ncnc12)C(O)=O
InChi:	InChI=1S/C14H23N6O5PS/c1-9(5-20-7-18-11-12(15)16-6-17-13(11)20)25-8-26(23,24)19-10(14(21)22)3-4-27-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,15,16,17)(H2,19,23,24)/t9-,10+/m1/s1
Synonyms:	(2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid
Definition date:	2020-09-28
Last modified:	2021-03-01
Release date:	2021-01-13
Identifier:	(2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid

NC4

NC4
Name:	4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID
Formula:	C11 H20 N2 O3
SMILES:	O=C(NC1CCCCC1)NCCCC(=O)O
InChi:	InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)
Synonyms:	4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID
Definition date:	2005-04-21
Last modified:	2021-03-01
Identifier:	4-[(cyclohexylcarbamoyl)amino]butanoic acid

NC6

NC6
Name:	6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID
Formula:	C13 H24 N2 O3
SMILES:	O=C(NC1CCCCC1)NCCCCCC(=O)O
InChi:	InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)
Synonyms:	4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID
Definition date:	2005-04-21
Last modified:	2021-03-01
Identifier:	6-[(cyclohexylcarbamoyl)amino]hexanoic acid

BZ1

BZ1
Name:	(+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Formula:	C12 H21 N3 O5 S3
SMILES:	O=S(=O)(c1sc2c(c1)C(NCC)CN(S2(=O)=O)CCCOC)N
InChi:	InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
Synonyms:	Brinzolamide
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(4R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

VF1

VF1
Name:	(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol
Formula:	C28 H32 N2 O2
SMILES:	C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC
InChi:	InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1
Synonyms:	BU72
Definition date:	2020-08-05
Last modified:	2021-03-01
Release date:	2021-02-10
Identifier:	(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol

R07

R07
Name:	1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
Formula:	C24 H20 F3 N3 O3 S
SMILES:	C1(=O)C=CN5C(=C1O)C(=O)N(CN5C3c2ccccc2SCc4c3cccc4)C(C(F)(F)F)C
InChi:	InChI=1S/C24H20F3N3O3S/c1-14(24(25,26)27)28-13-30(29-11-10-18(31)22(32)21(29)23(28)33)20-16-7-3-2-6-15(16)12-34-19-9-5-4-8-17(19)20/h2-11,14,20,32H,12-13H2,1H3/t14-,20+/m1/s1
Synonyms:	RO-7
Definition date:	2017-05-11
Last modified:	2021-03-01
Release date:	2018-04-11
Identifier:	1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

BZG

BZG
Name:	6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-9H-PURIN-2-AMINE
Formula:	C17 H20 N5 O7 P
SMILES:	O=P(O)(O)OCC4OC(n3cnc2c3nc(nc2OCc1ccccc1)N)CC4O
InChi:	InChI=1S/C17H20N5O7P/c18-17-20-15-14(16(21-17)27-7-10-4-2-1-3-5-10)19-9-22(15)13-6-11(23)12(29-13)8-28-30(24,25)26/h1-5,9,11-13,23H,6-8H2,(H2,18,20,21)(H2,24,25,26)/t11-,12+,13+/m0/s1
Synonyms:	O6-BENZYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
Definition date:	2007-01-17
Last modified:	2021-03-01
Identifier:	6-(benzyloxy)-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine

SN6

SN6
Name:	1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM
Formula:	C29 H27 N5 O
SMILES:	O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3)Nc5c4c(cccc4)[n+](cc5)C
InChi:	InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2
Synonyms:	SN6999
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium

SN7

SN7
Name:	4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE
Formula:	C29 H29 N7 O
SMILES:	O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3N)Nc5c4c(ccc(c4)N)[n+](cc5)C
InChi:	InChI=1S/C29H27N7O/c1-35-14-11-22(12-15-35)32-20-4-6-21(7-5-20)34-29(37)24-9-8-23(18-26(24)31)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28/h3-18H,30H2,1-2H3,(H3,31,34,37)/p+2
Synonyms:	SN7167
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinolinium

3O1

3O1
Name:	tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
Formula:	C15 H24 N2 O5 S
SMILES:	O=S(=O)(N)c1ccc(OCCCCNC(=O)OC(C)(C)C)cc1
InChi:	InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)
Synonyms:	tert-butyl 6-(4-sulfamoylphenoxy)hexylcarbamate
Definition date:	2014-09-26
Last modified:	2021-03-01
Release date:	2015-04-15
Identifier:	tert-butyl [4-(4-sulfamoylphenoxy)butyl]carbamate

SN8

SN8
Name:	1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
Formula:	C30 H47 N5 O
SMILES:	O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cc(ccc3N(C)CC=4)C)CC5
InChi:	InChI=1S/C30H47N5O/c1-21-4-13-29-27(20-21)28(16-19-35(29)3)32-24-7-5-22(6-8-24)30(36)33-25-11-9-23(10-12-25)31-26-14-17-34(2)18-15-26/h4,13,16,20,22-26,31-32H,5-12,14-15,17-19H2,1-3H3,(H,33,36)/t22?,23-,24?,25+
Synonyms:	SN8315
Definition date:	2005-05-20
Last modified:	2021-03-01
Identifier:	trans-4-[(1,6-dimethyl-1,2-dihydroquinolin-4-yl)amino]-N-{cis-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide

3O5

3O5
Name:	4-(4-sulfamoyl-phenoxy)-butylammonium
Formula:	C10 H16 N2 O3 S
SMILES:	O=S(=O)(N)c1ccc(OCCCCN)cc1
InChi:	InChI=1S/C10H16N2O3S/c11-7-1-2-8-15-9-3-5-10(6-4-9)16(12,13)14/h3-6H,1-2,7-8,11H2,(H2,12,13,14)
Synonyms:	4-(4-aminobutoxy)benzenesulfonamide
Definition date:	2014-09-26
Last modified:	2021-03-01
Release date:	2015-04-15
Identifier:	4-(4-aminobutoxy)benzenesulfonamide

TUX

TUX
Name:	1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL
Formula:	C22 H41 N O7
SMILES:	O=C(NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)CO
InChi:	InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1
Synonyms:	TU-514
Definition date:	2003-03-18
Last modified:	2021-03-01
Identifier:	1,5-anhydro-2-deoxy-2-[2-(hydroxyamino)-2-oxoethyl]-3-O-tetradecanoyl-D-glucitol

R14

R14
Name:	N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]
Formula:	C43 H47 N11 O2
SMILES:	O=C(Nc1cccc(c1)c2nnn(c2)c7cc6nc3c(ccc(c3)n4nnc(c4)c5cccc(NC(=O)CCN(CC)CC)c5)cc6cc7)CCN(CC)CC
InChi:	InChI=1S/C43H47N11O2/c1-5-51(6-2)21-19-42(55)44-34-13-9-11-30(24-34)40-28-53(49-47-40)36-17-15-32-23-33-16-18-37(27-39(33)46-38(32)26-36)54-29-41(48-50-54)31-12-10-14-35(25-31)45-43(56)20-22-52(7-3)8-4/h9-18,23-29H,5-8,19-22H2,1-4H3,(H,44,55)(H,45,56)
Synonyms:	triazole-acridine conjugate
Definition date:	2010-04-19
Last modified:	2021-03-01
Identifier:	N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]

C04

C04
Name:	(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Formula:	C16 H15 N5 O7 S2
SMILES:	O=C(O)CON=C(c1nc(sc1)N)C(=O)NC3C(=O)N2C(=C(C=C)CSC23)C(=O)O
InChi:	InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
Synonyms:	Cefixime
Definition date:	2013-05-13
Last modified:	2021-03-01
Release date:	2013-06-05
Identifier:	(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

VGP

VGP
Name:	(1R)-1,4-anhydro-6-deoxy-1-[(6R)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6H-dibenzo[c,h]chromen-4-yl]-D-galactitol
Formula:	C27 H28 O9
SMILES:	OC1C(OC(C(O)C)C1O)c5c4c3OC(O)c2cc(C=C)cc(OC)c2c3cc(OC)c4c(O)cc5
InChi:	InChI=1S/C27H28O9/c1-5-12-8-15-19(17(9-12)33-3)14-10-18(34-4)21-16(29)7-6-13(20(21)25(14)36-27(15)32)26-23(31)22(30)24(35-26)11(2)28/h5-11,22-24,26-32H,1H2,2-4H3/t11-,22-,23-,24+,26-,27-/m1/s1
Synonyms:	pregilvocarcin V
Definition date:	2010-11-30
Last modified:	2021-03-01
Identifier:	(1R)-1,4-anhydro-6-deoxy-1-[(6R)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6H-dibenzo[c,h]chromen-4-yl]-D-galactitol

V1L

V1L
Name:	piperidin-2-one
Formula:	C5 H9 N O
SMILES:	O=C1CCCCN1
InChi:	InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
Synonyms:	valerolactam
Definition date:	2017-07-17
Last modified:	2021-03-01
Release date:	2018-10-10
Identifier:	piperidin-2-one

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