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LCM

LCM
Name:	N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
Formula:	C18 H20 N2 O6
SMILES:	O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O
InChi:	InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)
Synonyms:	4-LICAM
Definition date:	2013-01-22
Last modified:	2021-03-01
Release date:	2013-04-03
Identifier:	N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)

JOS

JOS
Name:	(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(ACETYLOXY)-10-HYDROXY-5-METHOXY-9,16-DIMETHYL-2-OXO-7-(2-OXOETHYL)OXACYCLOHEXADECA-12,14-DIEN-6-YL]OXY}-4-(DIMETHYLAMINO)-5-HYDROXY-2-METHYLTETRAHYDRO-2H-PYRAN-3-YL]OXY}-4-HYDROXY-2,4-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL 3-METHYLBUTANOATE
Formula:	C42 H69 N O15
SMILES:	O=C(OC1C(O)(C)CC(OC1C)OC3C(OC(OC2C(OC)C(OC(=O)C)CC(=O)OC(C=CC=CCC(O)C(C)CC2CC=O)C)C(O)C3N(C)C)C)CC(C)C
InChi:	InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-15,18,23-27,29-31,34-41,46,49-50H,16-17,19-22H2,1-11H3/b14-12+,15-13-/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
Synonyms:	JOSAMYCIN
Definition date:	2006-12-12
Last modified:	2021-03-01
Identifier:	(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name)

NRN

NRN
Name:	(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
Formula:	C10 H13 N5 O3
SMILES:	Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O
InChi:	InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
Synonyms:	noraristeromycin
Definition date:	2015-07-31
Last modified:	2021-03-01
Release date:	2016-07-27
Identifier:	(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol

CFB

CFB
Name:	2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE
Formula:	C10 H11 Cl F N5 O3
SMILES:	Clc1nc(c2ncn(c2n1)C3OC(C(O)C3F)CO)N
InChi:	InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
Synonyms:	CLOFARABINE
Definition date:	2005-07-14
Last modified:	2021-03-01
Identifier:	2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine

CFE

CFE
Name:	(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Formula:	C11 H16 N4 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3[CH](O)CNC=Nc23
InChi:	InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
Synonyms:	Coformycin
Definition date:	2010-01-26
Last modified:	2021-03-01
Identifier:	(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

MKS

MKS
Name:	1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Formula:	C24 H26 O6
SMILES:	CC(=C/Cc3c2C(c1c(c(CC=C(C)C)c(O)cc1Oc2cc(O)c3OC)O)=O)C
InChi:	InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
Synonyms:	alpha-Mangostin
Definition date:	2015-02-26
Last modified:	2021-03-01
Release date:	2015-09-09
Identifier:	1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one

B89

B89
Name:	(5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one
Formula:	C17 H24 Cl N O4
SMILES:	Cl[C@H]=CCON=C(C=2C(=O)CC(C1CCOCC1)CC=2O)CC
InChi:	InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+/t13-/m0/s1
Synonyms:	tepraloxydim
Definition date:	2009-10-19
Last modified:	2021-03-01
Identifier:	(5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one

MKU

MKU
Name:	5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one
Formula:	C24 H26 O6
SMILES:	CC(=C/Cc4c3C(c2c(c1CCC(C)(C)Oc1cc2Oc3cc(O)c4OC)O)=O)C
InChi:	InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3
Synonyms:	3-isomangostin
Definition date:	2015-03-02
Last modified:	2021-03-01
Release date:	2015-09-09
Identifier:	5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one

TIM

TIM
Name:	(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Formula:	C13 H24 N4 O3 S
SMILES:	OC(COc1nsnc1N2CCOCC2)CNC(C)(C)C
InChi:	InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
Synonyms:	Timolol maleate
Definition date:	2008-05-22
Last modified:	2021-03-01
Identifier:	(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

B8L

B8L
Name:	3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
Formula:	C32 H36 N2 O7
SMILES:	O=C(c1cc(OC)ccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)c(c3)C(C)CC
InChi:	InChI=1S/C32H36N2O7/c1-4-19(2)24-16-22(11-13-27(24)35)31(38)34-26-18-33-15-5-6-29(26)41-32(39)21-9-7-20(8-10-21)30(37)25-17-23(40-3)12-14-28(25)36/h7-14,16-17,19,26,29,33,35-36H,4-6,15,18H2,1-3H3,(H,34,38)/t19-,26+,29+/m0/s1
Synonyms:	BALANOL ANALOG 8
Definition date:	2003-12-03
Last modified:	2021-03-01
Identifier:	(3R,4R)-3-[({4-hydroxy-3-[(1S)-1-methylpropyl]phenyl}carbonyl)amino]azepan-4-yl 4-[(2-hydroxy-5-methoxyphenyl)carbonyl]benzoate

TIO

TIO
Name:	(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE
Formula:	C12 H15 N O3 S
SMILES:	O=C(O)CNC(=O)C(CS)Cc1ccccc1
InChi:	InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
Synonyms:	THIORPHAN
Definition date:	1999-12-20
Last modified:	2021-03-01
Identifier:	N-[(2S)-2-benzyl-3-sulfanylpropanoyl]glycine

M5A

M5A
Name:	(2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
Formula:	C14 H12 O3 S
SMILES:	O=C(c1ccc(cc1)C(C)C(O)=O)c2cccs2
InChi:	InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/t9-/m0/s1
Synonyms:	(S)-Suprofen
Definition date:	2019-03-25
Last modified:	2021-03-01
Release date:	2020-01-15
Identifier:	(2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid

ML4

ML4
Name:	4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine
Formula:	C27 H26 N4 O2
SMILES:	O=C(O)C(N)Cc4ccc(c1ncc(nc1)NCc2ccccc2c3ccccc3C)cc4
InChi:	InChI=1S/C27H26N4O2/c1-18-6-2-4-8-22(18)23-9-5-3-7-21(23)15-30-26-17-29-25(16-31-26)20-12-10-19(11-13-20)14-24(28)27(32)33/h2-13,16-17,24H,14-15,28H2,1H3,(H,30,31)(H,32,33)/t24-/m0/s1
Synonyms:	(S)-2-Amino-3-(4-{5-[(2'-methyl-biphenyl-2-ylmethyl)-amino]-pyrazin-2-yl}-phenyl)-propionic acid
Definition date:	2009-05-31
Last modified:	2021-03-01
Identifier:	4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine

TXF

TXF
Name:	(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
Formula:	C27 H31 N O3
SMILES:	O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(c3ccccc3)CCCO)CCN(C)C
InChi:	InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
Synonyms:	GSK5182
Definition date:	2005-11-16
Last modified:	2021-03-01
Identifier:	4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-en-1-yl]phenol

SP7

SP7
Name:	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide
Formula:	C10 H23 N3 O
SMILES:	O=C(NC(CCNCCCCN)C)C
InChi:	InChI=1S/C10H23N3O/c1-9(13-10(2)14)5-8-12-7-4-3-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
Synonyms:	S-N1-AcMeSpermidine
Definition date:	2008-03-31
Last modified:	2021-03-01
Identifier:	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide

SP8

SP8
Name:	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
Formula:	C15 H25 N3 O
SMILES:	O=C(NC(C)CCNCCCCN)c1ccccc1
InChi:	InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m0/s1
Synonyms:	S-Bz-MeSpermidine
Definition date:	2008-03-31
Last modified:	2021-03-01
Identifier:	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide

TIV

TIV
Name:	(3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
Formula:	C23 H19 N3 O2
SMILES:	O=C1NC(=O)[CH]([CH]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56
InChi:	InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1
Synonyms:	Tivantinib
Definition date:	2015-10-20
Last modified:	2021-03-01
Release date:	2015-11-04

SP9

SP9
Name:	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
Formula:	C15 H25 N3 O
SMILES:	O=C(NC(C)CCNCCCCN)c1ccccc1
InChi:	InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m1/s1
Synonyms:	R-Bz-MeSpermidine
Definition date:	2008-03-31
Last modified:	2021-03-01
Identifier:	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide

N0G

N0G
Name:	2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide
Formula:	C26 H22 N2 O2
SMILES:	N(/c2c(C(=O)NC(c1ccccc1)C)cccc2)=C/c4c3c(cccc3)ccc4O
InChi:	InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17-/t18-/m0/s1
Synonyms:	Sirtinol
Definition date:	2019-04-26
Last modified:	2021-03-01
Release date:	2020-06-24
Identifier:	2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide

QP8

QP8
Name:	tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Formula:	C19 H25 N5 O3
SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O
InChi:	InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)
Synonyms:	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Definition date:	2020-07-15
Last modified:	2021-03-01
Release date:	2020-10-07
Identifier:	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate

TIZ

TIZ
Name:	(1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL
Formula:	C9 H12 N2 O5 S
SMILES:	O=C(c1nc(sc1)C2OC(C(O)C2O)CO)N
InChi:	InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1
Synonyms:	TIAZOFURIN
Definition date:	2007-03-08
Last modified:	2021-03-01
Identifier:	(1R)-1,4-anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-ribitol

LDE

LDE
Name:	(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
Formula:	C11 H22 N O6 P
SMILES:	O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C
InChi:	InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1
Synonyms:	L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE
Definition date:	2011-05-18
Last modified:	2021-03-01
Identifier:	(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid

NSK

NSK
Name:	N-SUCCINYL LYSINE
Formula:	C10 H18 N2 O5
SMILES:	O=C(NC(C(=O)O)CCCCN)CCC(=O)O
InChi:	InChI=1S/C10H18N2O5/c11-6-2-1-3-7(10(16)17)12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
Synonyms:	N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE
Definition date:	2007-04-05
Last modified:	2021-03-01
Identifier:	N~2~-(3-carboxypropanoyl)-L-lysine

NSL

NSL
Name:	4-Hydroxyazobenzene
Formula:	C12 H10 N2 O
SMILES:	c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:	InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
Synonyms:	4-[(E)-phenyldiazenyl]phenol
Definition date:	2019-04-15
Last modified:	2021-03-01
Release date:	2019-07-24
Identifier:	4-[(E)-phenyldiazenyl]phenol

RHP

RHP
Name:	(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL
Formula:	C12 H13 N O
SMILES:	Oc1ccc2c(c1)C(NCC#C)CC2
InChi:	InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1
Synonyms:	5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN
Definition date:	2004-01-15
Last modified:	2021-03-01
Identifier:	(3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-ol

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