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UND

UND
Name:	UNDECANE
Formula:	C11 H24
SMILES:	C(CCCCCCCC)CC
InChi:	InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
Synonyms:	LIPID FRAGMENT
Definition date:	1999-09-17
Last modified:	2021-03-01
Identifier:	undecane

3BH

3BH
Name:	(2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C10 H14 N6 O4
SMILES:	n2c1c(ncnc1n(c2N)C3OC(C(O)C3O)CO)N
InChi:	InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
Synonyms:	8-aminoadenosine
Definition date:	2009-01-28
Last modified:	2021-03-01
Identifier:	8-aminoadenosine

OLY

OLY
Name:	methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate
Formula:	C40 H55 N7 O10 S
SMILES:	C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc3c(C)nc4c(n3)CC(OC)=CC4)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)C7(NC(=O)OC)CCCC7)=O
InChi:	InChI=1S/C40H55N7O10S/c1-24-33(42-30-20-26(55-3)14-15-28(30)41-24)57-27-21-31-32(48)44-40(36(51)46-58(53,54)38(2)18-19-38)22-25(40)12-8-6-5-7-9-13-29(34(49)47(31)23-27)43-35(50)39(16-10-11-17-39)45-37(52)56-4/h8,12,14,25,27,29,31H,5-7,9-11,13,15-23H2,1-4H3,(H,43,50)(H,44,48)(H,45,52)(H,46,51)/b12-8-/t25-,27-,29+,31+,40-/m1/s1
Synonyms:	P4-P5-5 (WK-25)
Definition date:	2019-06-28
Last modified:	2021-03-01
Release date:	2020-03-04
Identifier:	methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate

QO4

QO4
Name:	5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one
Formula:	C20 H23 F6 N7 O3
SMILES:	C(CC(=O)N1CCN(CC1)c2ncc(C(F)(F)F)cn2)OCC(C)NC3=C(C(=O)NN=C3)C(F)(F)F
InChi:	InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1
Synonyms:	RBN-2397
Definition date:	2019-11-27
Last modified:	2021-03-01
Release date:	2020-12-16
Identifier:	5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one

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

SAY

SAY
Name:	[(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C12 H15 O8 P
SMILES:	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc(C=O)c(O)c2
InChi:	InChI=1S/C12H15O8P/c13-5-8-2-1-7(3-9(8)14)11-4-10(15)12(20-11)6-19-21(16,17)18/h1-3,5,10-12,14-15H,4,6H2,(H2,16,17,18)/t10-,11+,12+/m0/s1
Synonyms:	2'-DEOXY-1'-(3-HYDROXY-4-FORMYLPHENYL)RIBOSE-5'-MONOPHOSPHATE
Definition date:	2010-11-15
Last modified:	2021-03-01
Identifier:	[(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate

S91

S91
Name:	[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID
Formula:	C20 H19 N5 O3
SMILES:	O=C(O)Cc1ccc(cc1)Nc2nc(c(cn2)C(=O)N)Nc3cc(ccc3)C
InChi:	InChI=1S/C20H19N5O3/c1-12-3-2-4-15(9-12)23-19-16(18(21)28)11-22-20(25-19)24-14-7-5-13(6-8-14)10-17(26)27/h2-9,11H,10H2,1H3,(H2,21,28)(H,26,27)(H2,22,23,24,25)
Synonyms:	(4-{[5-CARBAMOYL-4-(3-METHYLANILINO)PYRIMIDIN-2-YL]AMINO}PHENYL)ACETIC ACID
Definition date:	2005-03-22
Last modified:	2021-03-01
Identifier:	[4-({5-carbamoyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid

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

WAY

WAY
Name:	N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-BENZAMIDE
Formula:	C21 H21 N3 O5 S
SMILES:	O=C(NO)c3cccc(c3N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C
InChi:	InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
Synonyms:	WAY-151693
Definition date:	2000-08-18
Last modified:	2021-03-01
Identifier:	N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](pyridin-3-ylmethyl)amino}-3-methylbenzamide

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

SB4

SB4
Name:	4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
Formula:	C18 H19 F N6
SMILES:	Fc1ccc(cc1)c3ncn(c3c2nc(ncc2)N)C4CCNCC4
InChi:	InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
Synonyms:	SB220025
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	4-[4-(4-fluorophenyl)-1-piperidin-4-yl-1H-imidazol-5-yl]pyrimidin-2-amine

BNI

BNI
Name:	5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE
Formula:	C16 H20 N4 O4 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)Nc3ccc([N+]([O-])=O)cc3
InChi:	InChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1
Synonyms:	BIOTINYL P-NITROANILINE
Definition date:	2001-03-23
Last modified:	2021-03-01
Identifier:	N-(4-nitrophenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

SB8

SB8
Name:	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE
Formula:	C16 H15 N O4
SMILES:	O=CN(O)CCOc1cc(ccc1)C(=O)c2ccccc2
InChi:	InChI=1S/C16H15NO4/c18-12-17(20)9-10-21-15-8-4-7-14(11-15)16(19)13-5-2-1-3-6-13/h1-8,11-12,20H,9-10H2
Synonyms:	SB-543668
Definition date:	2005-08-15
Last modified:	2021-03-01
Identifier:	N-hydroxy-N-{2-[3-(phenylcarbonyl)phenoxy]ethyl}formamide

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

R47

R47
Name:	N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine
Formula:	C35 H35 Br Cl N4 O10 P
SMILES:	O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4)CCC(=O)O
InChi:	InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1
Synonyms:	RXP470.1
Definition date:	2012-09-14
Last modified:	2021-03-01
Release date:	2013-02-01
Identifier:	N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine

R48

R48
Name:	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
Formula:	C29 H30 N8 O
SMILES:	O=C(Nc3cccc(Nc2ncnc1c2cc(N)cc1)c3)Nc5cc(nn5c4ccc(cc4)C)C(C)(C)C
InChi:	InChI=1S/C29H30N8O/c1-18-8-11-22(12-9-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-7-5-6-20(15-21)33-27-23-14-19(30)10-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
Synonyms:	1-(3-(6-aminoquinazolin-4-ylamino)phenyl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
Definition date:	2009-03-06
Last modified:	2021-03-01
Identifier:	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea

BNR

BNR
Name:	BIS-DAUNORUBICIN
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(C(O)C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)CC%10O)C
InChi:	InChI=1S/C62H64N2O20/c1-25-51(35(67)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)24-64-52-26(2)82-42(18-36(52)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:	WP652
Definition date:	2001-11-30
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}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-aminium) (non-preferred name)

OOC

OOC
Name:	octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside
Formula:	C20 H38 O10 S
SMILES:	S(CCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:	InChI=1S/C20H38O10S/c1-2-3-4-5-6-7-8-31-20-17(27)15(25)18(12(10-22)29-20)30-19-16(26)14(24)13(23)11(9-21)28-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14-,15+,16-,17+,18-,19+,20+/m1/s1
Synonyms:	N-BETA-OCTYL-THIO-MALTOSIDE
Definition date:	2014-04-16
Last modified:	2021-03-01
Release date:	2014-12-17
Identifier:	octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside

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

3CB

3CB
Name:	N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE
Formula:	C27 H37 N7 O6 S
SMILES:	O=C(O)c1cc(ccc1)CS(=O)(=O)NC(C(=O)NC(C(=O)NCc2ccc(cc2)C(=[N@H])N)CCC(=[N@H])N)C(C)CC
InChi:	InChI=1S/C27H37N7O6S/c1-3-16(2)23(34-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)33-21(11-12-22(28)29)25(35)32-14-17-7-9-19(10-8-17)24(30)31/h4-10,13,16,21,23,34H,3,11-12,14-15H2,1-2H3,(H3,28,29)(H3,30,31)(H,32,35)(H,33,36)(H,37,38)/t16-,21+,23-/m1/s1
Synonyms:	3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID
Definition date:	2004-11-24
Last modified:	2021-03-01
Identifier:	N-[(3-carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamide

QB5

QB5
Name:	N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
Formula:	C21 H22 N4 O3
SMILES:	CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3
InChi:	InChI=1S/C21H22N4O3/c1-15(26)25-19-8-7-17(21(27)23-10-9-18-12-22-14-24-18)11-20(19)28-13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,24)(H,23,27)(H,25,26)
Synonyms:	4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide
Definition date:	2020-06-01
Last modified:	2021-03-01
Release date:	2020-07-29
Identifier:	4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide

VOG

VOG
Name:	(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:	C10 H21 N O7
SMILES:	C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO
InChi:	InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
Synonyms:	voglibose
Definition date:	2018-01-30
Last modified:	2021-03-01
Release date:	2018-02-28
Identifier:	(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

3CM

3CM
Name:	3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
Formula:	C21 H38 O11
SMILES:	O(CCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C21H38O11/c22-9-12-14(24)15(25)17(27)21(30-12)32-19-13(10-23)31-20(18(28)16(19)26)29-8-4-7-11-5-2-1-3-6-11/h11-28H,1-10H2/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1
Synonyms:	CYMAL-3
Definition date:	2006-08-09
Last modified:	2021-03-01
Identifier:	3-cyclohexylpropyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

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

SC5

SC5
Name:	2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL
Formula:	C18 H26 N4 O2
SMILES:	OC(O)CNC(Nc1ccc(cc1)CN)NC(c2ccccc2)C
InChi:	InChI=1S/C18H26N4O2/c1-13(15-5-3-2-4-6-15)21-18(20-12-17(23)24)22-16-9-7-14(11-19)8-10-16/h2-10,13,17-18,20-24H,11-12,19H2,1H3/t13-,18-/m1/s1
Synonyms:	SC45647
Definition date:	2005-06-21
Last modified:	2021-03-01
Identifier:	2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol

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