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PZH

PZH
Name:	1-(4-BROMOPHENYL)METHANAMINE
Formula:	C7 H8 Br N
SMILES:	Brc1ccc(cc1)CN
InChi:	InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
Synonyms:	4-BROMOBENZYLAMINE
Definition date:	2006-07-21
Last modified:	2020-06-17
Release date:	2014-03-19
Identifier:	1-(4-bromophenyl)methanamine

715

715
Name:	(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE
Formula:	C16 H15 F6 N5 O
SMILES:	Fc1cc(c(F)cc1F)CC(N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F
InChi:	InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
Synonyms:	Sitagliptin
Definition date:	2004-08-16
Last modified:	2020-06-17
Identifier:	(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine

B14

B14
Name:	1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE
Formula:	C19 H16 F2 N6 O
SMILES:	N#Cc1ncc(cc1)C(=O)N4CCC3(N=C(c2c(c(F)ccc2F)N3)N)CC4
InChi:	InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
Synonyms:	AR-C102222
Definition date:	2005-10-03
Last modified:	2020-06-17
Identifier:	5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]pyridine-2-carbonitrile

B1C

B1C
Name:	N-(tert-butoxycarbonyl)-L-tyrosine
Formula:	C14 H19 N O5
SMILES:	O=C(NC(Cc1ccc(cc1)O)C(O)=O)OC(C)(C)C
InChi:	InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
Synonyms:	BOC-TYR
Definition date:	2016-11-14
Last modified:	2020-06-17
Release date:	2016-11-30
Identifier:	N-(tert-butoxycarbonyl)-L-tyrosine

B1L

B1L
Name:	3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE
Formula:	C20 H22 N2 O5
SMILES:	O=C(OC2CCCNCC2NC(=O)c1ccc(O)cc1)c3ccc(O)cc3
InChi:	InChI=1S/C20H22N2O5/c23-15-7-3-13(4-8-15)19(25)22-17-12-21-11-1-2-18(17)27-20(26)14-5-9-16(24)10-6-14/h3-10,17-18,21,23-24H,1-2,11-12H2,(H,22,25)/t17-,18-/m1/s1
Synonyms:	BALANOL ANALOG 1
Definition date:	2003-12-02
Last modified:	2020-06-17
Identifier:	(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-hydroxybenzoate

B1V

B1V
Name:	2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)SULFANYL]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL
Formula:	C12 H14 F3 N3 O2 S
SMILES:	O=C(N1CCCCC1)CSc2nc(cc(O)n2)C(F)(F)F
InChi:	InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-6-9(19)17-11(16-8)21-7-10(20)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17,19)
Synonyms:	2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)THIO]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4(1H)-ONE
Definition date:	2004-06-22
Last modified:	2020-06-17
Identifier:	2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol

B1Z

B1Z
Name:	Adenosylcobalamin
Formula:	C72 H101 Co N18 O17 P
SMILES:	C[CH]1CNC(=O)CC[C]2(C)[CH](CC(N)=O)[CH]3N\|4=C2C(=C5N\|6=C(C=C7N\|8=C(C(=C9[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]3(C)[N]9[Co]\|4\|6\|8(C[CH]%10O[CH]([CH](O)[CH]%10O)n%11cnc%12c(N)ncnc%11%12)\|n%13cn([CH]%14O[CH](CO)[CH](O[P](O)(=O)O1)[CH]%14O)c%15cc(C)c(C)cc%13%15)C)[C](C)(CC(N)=O)[CH]7CCC(N)=O)C(C)(C)[CH]5CCC(N)=O)C
InChi:	InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56
Synonyms:	Cobamamide
Definition date:	2012-09-13
Last modified:	2020-06-17
Release date:	2012-10-12

B25

B25
Name:	5-nitro-1H-indole-2-carboximidamide
Formula:	C9 H8 N4 O2
SMILES:	[O-][N+](=O)c1cc2c(cc1)nc(c2)C(=[N@H])N
InChi:	InChI=1S/C9H8N4O2/c10-9(11)8-4-5-3-6(13(14)15)1-2-7(5)12-8/h1-4,12H,(H3,10,11)
Synonyms:	5-nitro-1H-indole-2-amidine
Definition date:	2010-05-10
Last modified:	2020-06-17
Identifier:	5-nitro-1H-indole-2-carboximidamide

B2B

B2B
Name:	(2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
Formula:	C34 H54 O12
SMILES:	O=C(OC(C)C(C)C(O)CC(=O)C(C)C(O)CCC(C)CC(C)CCC=C(C=CC(=O)O)CC)CC(O)C(=C(C(=O)O)C)C(=O)O
InChi:	InChI=1S/C34H54O12/c1-8-25(13-15-30(39)40)11-9-10-19(2)16-20(3)12-14-26(35)22(5)28(37)17-27(36)21(4)24(7)46-31(41)18-29(38)32(34(44)45)23(6)33(42)43/h11,13,15,19-22,24,26-27,29,35-36,38H,8-10,12,14,16-18H2,1-7H3,(H,39,40)(H,42,43)(H,44,45)/b15-13+,25-11+,32-23-/t19-,20-,21+,22-,24+,26-,27+,29+/m0/s1
Synonyms:	tautomycetin analogue TTNB1B
Definition date:	2010-04-26
Last modified:	2020-06-17
Identifier:	(2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13S,16E,18E)-19-carboxy-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6-oxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid

B2R

B2R
Name:	3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate
Formula:	C26 H29 N7 O4
SMILES:	Cc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
InChi:	InChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35)
Synonyms:	Naphthyridine Carbamate Dimer
Definition date:	2019-01-08
Last modified:	2020-06-17
Release date:	2019-12-25
Identifier:	3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate

B33

B33
Name:	N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE
Formula:	C11 H27 N3
SMILES:	N(CCC)CCCNCCCNCC
InChi:	InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3
Synonyms:	BE3
Definition date:	2006-01-03
Last modified:	2020-06-17
Identifier:	N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine

B36

B36
Name:	6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline
Formula:	C31 H28 N2 O
SMILES:	O=C(c3c1ccccc1cc2ccccc23)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6
InChi:	InChI=1S/C31H28N2O/c1-21-10-12-26-19-23(11-13-29(26)32-21)18-22-14-16-33(17-15-22)31(34)30-27-8-4-2-6-24(27)20-25-7-3-5-9-28(25)30/h2-13,19-20,22H,14-18H2,1H3
Synonyms:	Anthracen-9-yl-[4-(2-methyl-quinolin-6-ylmethyl)-piperidin-1-yl]-methanon
Definition date:	2009-04-17
Last modified:	2020-06-17
Identifier:	6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline

B37

B37
Name:	4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline
Formula:	C32 H29 N3 O
SMILES:	O=C(c2c3ccccc3nc(c1ccccc1)c2)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6
InChi:	InChI=1S/C32H29N3O/c1-22-11-13-26-20-24(12-14-29(26)33-22)19-23-15-17-35(18-16-23)32(36)28-21-31(25-7-3-2-4-8-25)34-30-10-6-5-9-27(28)30/h2-14,20-21,23H,15-19H2,1H3
Synonyms:	[4-(2-Methyl-quinolin-6-ylmethyl)-piperidin-1-yl]-(2-phenyl-quinolin-4-yl)-methanon
Definition date:	2009-04-17
Last modified:	2020-06-17
Identifier:	4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline

B3N

B3N
Name:	4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
Formula:	C16 H25 N3 O3
SMILES:	O=C(NO)CCCCCCNC(=O)c1ccc(N(C)C)cc1
InChi:	InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
Synonyms:	M344
Definition date:	2004-05-10
Last modified:	2020-06-17
Identifier:	4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

B43

B43
Name:	4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane
Formula:	C23 H22 N4 O
SMILES:	n1c(c2c(nc1)n(cc2c4ccc(Oc3ccccc3)cc4)C5CCCC5)N
InChi:	InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
Synonyms:	7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Definition date:	2009-02-27
Last modified:	2020-06-17
Identifier:	7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

B49

B49
Name:	N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
Formula:	C22 H27 F N4 O2
SMILES:	O=C(NCCN(CC)CC)c1c(c(nc1C)/C=C3/c2cc(F)ccc2NC3=O)C
InChi:	InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Synonyms:	SUNITINIB
Definition date:	2009-01-29
Last modified:	2020-06-17
Identifier:	N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

B55

B55
Name:	2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one
Formula:	C5 H5 N5 O S
SMILES:	O=C1c2nc(S)nc2N=C(N1)N
InChi:	InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
Synonyms:	2-amino-8-mercapto-1H-purin-6(9H)-one
Definition date:	2009-04-24
Last modified:	2020-06-17
Identifier:	2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one

B64

B64
Name:	4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid
Formula:	C14 H11 N O5 S2
SMILES:	O=C(OC)c1sc(cc1NC(=O)/C=CC(=O)O)c2sccc2
InChi:	InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4-
Synonyms:	(2Z)-4-{[5-(methoxycarbonyl)-2,2'-bithiophen-4-yl]amino}-4-oxobut-2-enoic acid
Definition date:	2009-05-29
Last modified:	2020-06-17
Identifier:	(2Z)-4-{[5-(methoxycarbonyl)-2,2'-bithiophen-4-yl]amino}-4-oxobut-2-enoic acid

B8F

B8F
Name:	(5beta)-3-oxours-12-en-28-oic acid
Formula:	C30 H46 O3
SMILES:	C1C(=O)C(C3C(C1)(C2CC=C4C(C2(C)CC3)(CCC5(C4C(C(CC5)C)C)C(=O)O)C)C)(C)C
InChi:	InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1
Synonyms:	Ursonic acid
Definition date:	2019-01-22
Last modified:	2020-06-17
Release date:	2020-01-15
Identifier:	(5beta)-3-oxours-12-en-28-oic acid

Q82

Q82
Name:	{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL) -2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}
Formula:	C36 H38 N4 O4
SMILES:	N#CN=C1N(C(C(O)C(O)C(N1Cc2ccc(cc2)CO)Cc3ccccc3)Cc4ccccc4)Cc5ccc(cc5)CO
InChi:	InChI=1S/C36H38N4O4/c37-25-38-36-39(21-28-11-15-30(23-41)16-12-28)32(19-26-7-3-1-4-8-26)34(43)35(44)33(20-27-9-5-2-6-10-27)40(36)22-29-13-17-31(24-42)18-14-29/h1-18,32-35,41-44H,19-24H2/t32-,33-,34+,35+/m1/s1
Synonyms:	Q8261
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	{(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidene}cyanamide

Q86

Q86
Name:	4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Formula:	C12 H13 N3 O
SMILES:	O=C(CCc1ccccc1)Cn2ncnc2
InChi:	InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
Synonyms:	4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Definition date:	2009-10-06
Last modified:	2020-06-17
Identifier:	4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Q88

Q88
Name:	9H-purine-6,8-diamine
Formula:	C5 H6 N6
SMILES:	n1c(c2nc(N)nc2nc1)N
InChi:	InChI=1S/C5H6N6/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H5,6,7,8,9,10,11)
Synonyms:	8-aminoadenine
Definition date:	2010-04-21
Last modified:	2020-06-17
Identifier:	9H-purine-6,8-diamine

Q9C

Q9C
Name:	N-{4-[(3-aminopropyl)amino]butyl}acetamide
Formula:	C9 H21 N3 O
SMILES:	O=C(NCCCCNCCCN)C
InChi:	InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)
Synonyms:	N8-acetylspermidine
Definition date:	2011-02-16
Last modified:	2020-06-17
Identifier:	N-{4-[(3-aminopropyl)amino]butyl}acetamide

BAI

BAI
Name:	(5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE
Formula:	C16 H14 N6
SMILES:	[N@H]=C(c4ccc1c(nc(n1)Cc2nc3ccccc3n2)c4)N
InChi:	InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
Synonyms:	HEMI-BABIM
Definition date:	1999-08-02
Last modified:	2020-06-17
Identifier:	2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-5-carboximidamide

BAT

BAT
Name:	4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE
Formula:	C23 H31 N3 O4 S2
SMILES:	O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2
InChi:	InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
Synonyms:	BATIMASTAT
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide

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