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YC2

YC2
Name:	N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid
Formula:	C19 H24 I N3 O8
SMILES:	O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:	InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
Synonyms:	(S)-2-(3-((S)-1-carboxy-(4-iodobenzamido)pentyl)ureido)pentanedioic acid
Definition date:	2008-06-05
Last modified:	2021-03-01
Identifier:	N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid

HOE

HOE
Name:	2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:	C25 H25 N6 O
SMILES:	Oc1ccc(cc1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6
InChi:	InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1
Synonyms:	HOECHST 33258
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	4-[2'-(4-hydroxyphenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium

XYM

XYM
Name:	(2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid
Formula:	C5 H6 O5 S
SMILES:	OC(=O)CSC=C(O)C(O)=O
InChi:	InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1,6H,2H2,(H,7,8)(H,9,10)/b3-1-
Synonyms:	(2Z)-2-hydroxy-3-(carboxymethylthio)propenoic acid
Definition date:	2010-02-05
Last modified:	2021-03-01
Identifier:	(Z)-3-(carboxymethylsulfanyl)-2-hydroxy-prop-2-enoic acid

XYN

XYN
Name:	3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid
Formula:	C5 H6 O5 S
SMILES:	OC(=O)CSCC(=O)C(O)=O
InChi:	InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
Synonyms:	3-(carboxymethylthio)-2-oxopropanoic acid
Definition date:	2010-02-05
Last modified:	2021-03-01
Identifier:	3-(carboxymethylsulfanyl)-2-oxo-propanoic acid

HOP

HOP
Name:	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL
Formula:	C23 H27 N O4
SMILES:	O=C(O)CCCNC(=O)c1ccc(cc1)C3CCC(c2ccccc2)CC3O
InChi:	InChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1
Synonyms:	OXY-COPE-HAPTEN
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	4-[({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}carbonyl)amino]butanoic acid

YCN

YCN
Name:	1,4,7,10-tetraazacyclododecane
Formula:	C8 H20 N4
SMILES:	C1CNCCNCCNCCN1
InChi:	InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
Synonyms:	Cyclen
Definition date:	2010-01-20
Last modified:	2021-03-01
Identifier:	3,6,9,12-tetrazacyclododecane

WSK

WSK
Name:	(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL
Formula:	C17 H18 Br2 N2 O
SMILES:	Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C
InChi:	InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1
Synonyms:	(S)-WISKOSTATIN
Definition date:	2004-06-01
Last modified:	2021-03-01
Identifier:	(2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol

HP1

HP1
Name:	~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
Formula:	C31 H41 N11 O6
SMILES:	CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3n(C)cc(NC(=O)c4nccn4C)c3O)cn2C)cn1C
InChi:	InChI=1S/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-29(46)23-15-20(17-41(23)5)36-30(47)25-26(44)21(18-42(25)6)37-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,46)(H,36,47)(H,37,48)
Synonyms:	IMIDAZOLE-HYDROXYPYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide

HP2

HP2
Name:	HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE
Formula:	C31 H41 N11 O6
SMILES:	O=C(Nc3cc(C(=O)Nc2c(O)c(C(=O)Nc1cc(C(=O)NCCC(=O)NCCCN(C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C
InChi:	InChI=1S/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-30(47)25-26(44)21(18-42(25)6)37-29(46)23-15-20(17-41(23)5)36-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,47)(H,36,48)(H,37,46)
Synonyms:	IMIDAZOLE-PYRROLE-HYDROXYPYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
Definition date:	2000-07-25
Last modified:	2021-03-01
Identifier:	N-(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-4-hydroxy-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide

ZSP

ZSP
Name:	2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one
Formula:	C9 H11 N5 O3
SMILES:	O=C1C=2N=C(C(O)=C(O)C)CNC=2N=C(N)N1
InChi:	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3-
Synonyms:	Sepiapterin (enol-form)
Definition date:	2013-12-20
Last modified:	2021-03-01
Release date:	2014-07-16
Identifier:	2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one

ZAH

ZAH
Name:	N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE
Formula:	C16 H20 N2 O5
SMILES:	O=C(O)C2N(C(=O)C(NC(=O)OCc1ccccc1)C)CCC2
InChi:	InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1
Synonyms:	Z-ALA PROLINAL
Definition date:	2005-02-16
Last modified:	2021-03-01
Identifier:	N-[(benzyloxy)carbonyl]-L-alanyl-L-proline

BCH

BCH
Name:	2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM
Formula:	C9 H20 N O S
SMILES:	O=C(SCC[N+](C)(C)C)CCC
InChi:	InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
Synonyms:	BUTYRYLTHIOCHOLINE
Definition date:	2003-04-17
Last modified:	2021-03-01
Identifier:	2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium

VXU

VXU
Name:	3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine
Formula:	C10 H13 N O2
SMILES:	O1c2c(OCCC1)cccc2CN
InChi:	InChI=1S/C10H13NO2/c11-7-8-3-1-4-9-10(8)13-6-2-5-12-9/h1,3-4H,2,5-7,11H2
Synonyms:	CC00413
Definition date:	2011-12-08
Last modified:	2021-03-01
Identifier:	1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanamine

HPS

HPS
Name:	PHENYL DIHYDROGEN PHOSPHATE
Formula:	C6 H7 O4 P
SMILES:	O=P(Oc1ccccc1)(O)O
InChi:	InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
Synonyms:	PHENYLPHOSPHATE
Definition date:	2003-06-20
Last modified:	2021-03-01
Identifier:	phenyl dihydrogen phosphate

BD2

BD2
Name:	3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
Formula:	C27 H26 N2 O6
SMILES:	O=C(c1ccccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3
InChi:	InChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1
Synonyms:	BALANOL ANALOG 2
Definition date:	2003-12-01
Last modified:	2021-03-01
Identifier:	(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-[(2-hydroxyphenyl)carbonyl]benzoate

BDA

BDA
Name:	4-METHYLBENZYL-N-BIS[DAUNOMYCIN]
Formula:	C62 H66 N2 O20
SMILES:	O=C2c1c(O)c%11c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC%11OC4OC(C)C(O)C(C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(O)C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)C%10)C
InChi:	InChI=1S/C62H64N2O20/c1-25-51(67)35(17-41(81-25)83-39-21-61(77,27(3)65)19-33-45(39)59(75)49-47(55(33)71)53(69)31-9-7-11-37(79-5)43(31)57(49)73)63-23-29-13-15-30(16-14-29)24-64-36-18-42(82-26(2)52(36)68)84-40-22-62(78,28(4)66)20-34-46(40)60(76)50-48(56(34)72)54(70)32-10-8-12-38(80-6)44(32)58(50)74/h7-16,25-26,35-36,39-42,51-52,63-64,67-68,71-72,75-78H,17-24H2,1-6H3/p+2/t25-,26-,35-,36-,39-,40-,41-,42-,51+,52+,61-,62-/m0/s1
Synonyms:	WP631
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(benzene-1,4-diyldimethanediyl)bis(6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyltetrahydro-2H-pyran-4-aminium) (non-preferred name)

BDC

BDC
Name:	BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE
Formula:	C44 H54 N8 O2
SMILES:	O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCCCCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)cccc6
InChi:	InChI=1S/C44H54N8O2/c1-51(2)29-27-47-43(53)35-21-15-19-33-39(31-17-9-11-23-37(31)49-41(33)35)45-25-13-7-5-6-8-14-26-46-40-32-18-10-12-24-38(32)50-42-34(40)20-16-22-36(42)44(54)48-28-30-52(3)4/h9-12,15-24H,5-8,13-14,25-30H2,1-4H3,(H,45,49)(H,46,50)(H,47,53)(H,48,54)
Synonyms:	BIS-DACA
Definition date:	2001-10-12
Last modified:	2021-03-01
Identifier:	9,9'-(octane-1,8-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide}

XMP

XMP
Name:	XANTHOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N4 O9 P
SMILES:	O=C3Nc1c([nH+]cn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N3
InChi:	InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p+1/t3-,5-,6-,9-/m1/s1
Synonyms:	5-MONOPHOSPHATE-9-BETA-D-RIBOFURANOSYL XANTHINE
Definition date:	1999-07-12
Last modified:	2021-03-01
Identifier:	5'-xanthylic acid

X8W

X8W
Name:	(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Formula:	C15 H12 O5
SMILES:	O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2
InChi:	InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H
Synonyms:	NARINGENIN CHALCONE
Definition date:	2014-04-24
Last modified:	2021-03-01
Release date:	2015-04-08
Identifier:	(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

HQO

HQO
Name:	2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE
Formula:	C16 H21 N O2
SMILES:	[O-][n+]2c1ccccc1c(O)cc2CCCCCCC
InChi:	InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3
Synonyms:	2-HEPTYL-1-OXY-QUINOLIN-4-OL
Definition date:	2001-11-28
Last modified:	2021-03-01
Identifier:	2-heptylquinolin-4-ol 1-oxide

ZD6

ZD6
Name:	Vandetanib
Formula:	C22 H24 Br F N4 O2
SMILES:	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
InChi:	InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
Synonyms:	ZD6474
Definition date:	2006-06-16
Last modified:	2021-03-01
Identifier:	~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

XN3

XN3
Name:	N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Formula:	C38 H48 N4 O6
SMILES:	O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc5ccc6OCOc6c5
InChi:	InChI=1S/C38H48N4O6/c1-38(2,3)40-37(46)31-23-41(21-26-13-14-33-34(18-26)48-24-47-33)15-16-42(31)22-29(43)19-28(17-25-9-5-4-6-10-25)36(45)39-35-30-12-8-7-11-27(30)20-32(35)44/h4-14,18,28-29,31-32,35,43-44H,15-17,19-24H2,1-3H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,35+/m1/s1
Synonyms:	ANALOGUE OF INDINAVIR DRUG
Definition date:	2001-11-02
Last modified:	2021-03-01
Identifier:	(2S)-4-(1,3-benzodioxol-5-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide (non-preferred name)

YRL

YRL
Name:	4-(2-hydroxyethyl)phenol
Formula:	C8 H10 O2
SMILES:	Oc1ccc(cc1)CCO
InChi:	InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
Synonyms:	p-tyrosol
Definition date:	2014-03-25
Last modified:	2021-03-01
Release date:	2014-07-30
Identifier:	4-(2-hydroxyethyl)phenol

WUL

WUL
Name:	8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE
Formula:	C15 H14 Br N3 O3
SMILES:	Brc4cc3c(oc1c3N=C(NC1=O)CN2CCC(O)C2)cc4
InChi:	InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1
Synonyms:	(S)-8-BROMO-2-((3-HYDROXYPYRROLIDIN-1-YL)METHYL)
Definition date:	2012-03-20
Last modified:	2021-03-01
Identifier:	8-bromo-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

BE6

BE6
Name:	(2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE
Formula:	C38 H36 F4 N2 O8
SMILES:	Fc1cc(c(F)cc1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cc(F)ccc4F)C(=O)NC6c5ccccc5CC6O
InChi:	InChI=1S/C38H36F4N2O8/c39-23-9-11-27(41)21(13-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)15-29(31)45)33(47)34(48)36(52-18-22-14-24(40)10-12-28(22)42)38(50)44-32-26-8-4-2-6-20(26)16-30(32)46/h1-14,29-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
Synonyms:	HIV-1 INHIBITOR
Definition date:	2004-08-10
Last modified:	2021-03-01
Identifier:	(2R,3R,4R,5R)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)

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

245011

數據於2025-11-19公開中

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