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BFI

BFI
Name:	2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE
Formula:	C19 H11 Br F2 N2 O4
SMILES:	Brc1ccc(c(F)c1)CN4C(=O)c2ccc(F)cc2C3(C(=O)NC(=O)C3)C4=O
InChi:	InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1
Synonyms:	MINALRESTAT
Definition date:	2003-07-07
Last modified:	2020-06-17
Identifier:	(4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone

BFR

BFR
Name:	N-butyl-N'-(diaminomethylidene)guanidine
Formula:	C6 H15 N5
SMILES:	C(C)CCNC(=N)N=C(/N)N
InChi:	InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
Synonyms:	Buformin
Definition date:	2017-01-19
Last modified:	2020-06-17
Release date:	2018-01-31
Identifier:	N-butyl-N'-(diaminomethylidene)guanidine

BFT

BFT
Name:	S-BENZOYLTHIAMINE O-MONOPHOSPHATE
Formula:	C19 H25 N4 O6 P S
SMILES:	O=P(O)(O)OCCC(SC(=O)c1ccccc1)C(N(C=O)Cc2cnc(nc2N)C)C
InChi:	InChI=1S/C19H25N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12-13,17H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/t13-,17+/m0/s1
Synonyms:	BENFOTIAMINE
Definition date:	2006-07-20
Last modified:	2020-06-17
Identifier:	2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1,2,4-trideoxy-3-S-(phenylcarbonyl)-5-O-phosphono-3-thio-D-erythro-pentitol

BFZ

BFZ
Name:	7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
Formula:	C21 H23 Br F N3 O
SMILES:	Fc3ccccc3C2=NCC(=O)N(c1c2cc(Br)cc1)CCN(CC)CC
InChi:	InChI=1S/C21H23BrFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
Synonyms:	BROMOFLURAZEPAM
Definition date:	2011-11-24
Last modified:	2020-06-17
Release date:	2012-10-12
Identifier:	7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

BH7

BH7
Name:	E-AMINO BIOTINYL CAPROIC ACID
Formula:	C16 H27 N3 O4 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCCC(=O)O
InChi:	InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
Synonyms:	6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID
Definition date:	2002-04-15
Last modified:	2020-06-17
Identifier:	6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid

BHE

BHE
Name:	octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Formula:	C20 H38 O10
SMILES:	O(CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO
InChi:	InChI=1S/C20H38O10/c1-3-4-5-6-7-8-9-27-20-18(16(25)14(23)12(10-21)29-20)30-19-17(26)15(24)13(22)11(2)28-19/h11-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,20+/m0/s1
Synonyms:	H-antigen acceptor
Definition date:	2008-01-04
Last modified:	2020-06-17
Identifier:	octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside

BHF

BHF
Name:	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE
Formula:	C19 H12 O2
SMILES:	O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4
InChi:	InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
Synonyms:	7,8-BENZOFLAVONE
Definition date:	2006-06-30
Last modified:	2020-06-17
Identifier:	2-phenyl-4H-benzo[h]chromen-4-one

BHN

BHN
Name:	2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
Formula:	C20 H24 N2 O6
SMILES:	O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2O)CC(=O)O
InChi:	InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28)
Synonyms:	N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
Definition date:	2010-05-26
Last modified:	2020-06-17
Identifier:	2,2'-{ethane-1,2-diylbis[(2-hydroxybenzyl)imino]}diacetic acid (non-preferred name)

BI1

BI1
Name:	3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Formula:	C25 H24 N4 O2
SMILES:	O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN(C)C)C(=O)N5
InChi:	InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
Synonyms:	RBT205 INHIBITOR
Definition date:	2003-12-16
Last modified:	2020-06-17
Identifier:	3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione

BI3

BI3
Name:	3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Formula:	C23 H20 N4 O2
SMILES:	O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5
InChi:	InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
Synonyms:	INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1
Definition date:	2003-12-16
Last modified:	2020-06-17
Identifier:	3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione

BWU

BWU
Name:	Tetraphenylporphycene contating cobalt
Formula:	C44 H28 Co N4
SMILES:	[Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)[N]16)C=C5)c%10ccccc%10
InChi:	InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-37-25-21-33(45-37)34-23-27-39(47-34)43(31-17-9-3-10-18-31)44(32-19-11-4-12-20-32)40-28-24-36(48-40)35-22-26-38(46-35)42(41)30-15-7-2-8-16-30
Synonyms:	Co-9,10,19,20-Tetraphenylporphycene
Definition date:	2019-03-25
Last modified:	2020-06-17
Release date:	2020-03-11

BWX

BWX
Name:	(2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid
Formula:	C22 H27 N O3
SMILES:	CC(C)Cc1ccc(cc1)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C22H27NO3/c1-15(2)13-18-9-11-19(12-10-18)16(3)21(24)23-20(22(25)26)14-17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20-/m0/s1
Synonyms:	N-(S)-Ibuprofenoyl-L-Phenylalanine
Definition date:	2019-03-26
Last modified:	2020-06-17
Release date:	2020-03-18
Identifier:	(2~{S})-2-[[(2~{S})-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid

BX3

BX3
Name:	(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
Formula:	C27 H30 N4 O3
SMILES:	O=C(O)C(c2ccc(OC1CCN(C(=[N@H])C)CC1)cc2)Cc4cc3cc(C(=[N@H])N)ccc3cc4
InChi:	InChI=1S/C27H30N4O3/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H3,29,30)(H,32,33)/b28-17+/t25-/m0/s1
Synonyms:	BX5633
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid

BYT

BYT
Name:	Biocytin
Formula:	C16 H28 N4 O4 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N
InChi:	InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
Synonyms:	N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine
Definition date:	2013-08-01
Last modified:	2020-06-17
Release date:	2014-09-10
Identifier:	N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine

BYY

BYY
Name:	5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid
Formula:	C10 H16 N2 O3 Se
SMILES:	O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O
InChi:	InChI=1S/C10H16N2O3Se/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
Synonyms:	selenobiotin
Definition date:	2016-04-18
Last modified:	2020-06-17
Release date:	2016-11-16
Identifier:	5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid

BZ7

BZ7
Name:	N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide
Formula:	C32 H38 N4 O4
SMILES:	N(C(CC(NC(C)(C)C)=O)C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)C(CCc3ccccc3)=O
InChi:	InChI=1S/C32H38N4O4/c1-32(2,3)36-29(38)22-27(35-28(37)18-17-23-11-6-4-7-12-23)31(40)34-20-19-33-30(39)26-16-10-15-25(21-26)24-13-8-5-9-14-24/h4-16,21,27H,17-20,22H2,1-3H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t27-/m0/s1
Synonyms:	PKS21004
Definition date:	2017-09-05
Last modified:	2020-06-17
Release date:	2017-12-06
Identifier:	N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide

BZE

BZE
Name:	6-phenyl-1,3,5-triazine-2,4-diamine
Formula:	C9 H9 N5
SMILES:	n1c(nc(nc1c2ccccc2)N)N
InChi:	InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
Synonyms:	BENZOGUANAMINE
Definition date:	2013-05-10
Last modified:	2020-06-17
Release date:	2013-05-22
Identifier:	6-phenyl-1,3,5-triazine-2,4-diamine

BZN

BZN
Name:	N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide
Formula:	C23 H32 N2 O3 S
SMILES:	O=S(=O)(c1ccccc1)N(CC(C)C)CC3CNCC3COCc2ccccc2
InChi:	InChI=1S/C23H32N2O3S/c1-19(2)15-25(29(26,27)23-11-7-4-8-12-23)16-21-13-24-14-22(21)18-28-17-20-9-5-3-6-10-20/h3-12,19,21-22,24H,13-18H2,1-2H3/t21-,22-/m1/s1
Synonyms:	N-((3R,4R)-4-Benzyloxymethyl-pyrrolidin-3-ylmethyl)-N-isobutyl-benzene sulfonamide
Definition date:	2007-12-05
Last modified:	2020-06-17
Identifier:	N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide

BZQ

BZQ
Name:	DIPHENYLMETHANONE
Formula:	C13 H10 O
SMILES:	O=C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Synonyms:	BENZENE, BENZOYL-
Definition date:	2000-03-08
Last modified:	2020-06-17
Identifier:	diphenylmethanone

C01

C01
Name:	(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE
Formula:	C25 H30 N O5
SMILES:	[O-]C(=O)C(Oc2c(cc1c(ON(C1=O)C)c2CCC)CCC)c3ccc(cc3)C(C)C
InChi:	InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/p-1/t22-/m0/s1
Synonyms:	ALPHA-ARYLOXYPHENYLACETIC ACID AGONIST
Definition date:	2005-04-26
Last modified:	2020-06-17
Identifier:	(2S)-[4-(1-methylethyl)phenyl][(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]ethanoate

C09

C09
Name:	2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine
Formula:	C13 H14 N4 O
SMILES:	n3c1ccccc1c2c(nc(n2)COCC)c3N
InChi:	InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17)
Synonyms:	CL097
Definition date:	2013-01-22
Last modified:	2020-06-17
Release date:	2013-04-03
Identifier:	2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine

C0L

C0L
Name:	methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate
Formula:	C30 H41 N O7
SMILES:	CC=[C@H]CC=C(/C)C(O)CCC(=[C@H]C=C(/C)C(O)=C1C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C
InChi:	InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1
Synonyms:	Corallopyronin A
Definition date:	2018-08-14
Last modified:	2020-06-17
Release date:	2018-11-21
Identifier:	methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate

C1A

C1A
Name:	(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)
Formula:	C14 H22 N8 S2
SMILES:	S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C
InChi:	InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22)
Synonyms:	4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE
Definition date:	2005-08-31
Last modified:	2020-06-17
Identifier:	(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)

C1C

C1C
Name:	1,1'-binaphthalene-2,2'-dicarboxylic acid
Formula:	C22 H14 O4
SMILES:	O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)cccc3
InChi:	InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26)
Synonyms:	1-(2-carboxynaphth-1yl)-2-naphthoic acid
Definition date:	2010-04-19
Last modified:	2020-06-17
Identifier:	1,1'-binaphthalene-2,2'-dicarboxylic acid

C1M

C1M
Name:	1-(4-CHLOROPHENYL)-1H-TETRAZOLE
Formula:	C7 H5 Cl N4
SMILES:	Clc1ccc(cc1)n2nnnc2
InChi:	InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H
Synonyms:	INHIBITOR OF THROMBIN
Definition date:	2005-12-08
Last modified:	2020-06-17
Identifier:	1-(4-chlorophenyl)-1H-tetrazole

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