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6RL

6RL
Name:	2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile
Formula:	C18 H20 F N5 O2
SMILES:	CN1C(=O)C=C(N2CCC[CH](N)C2)N(Cc3cc(F)ccc3C#N)C1=O
InChi:	InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
Synonyms:	SYR-472
Definition date:	2016-06-06
Last modified:	2020-06-17
Release date:	2016-07-13
Identifier:	2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

6RP

6RP
Name:	bis(pyrzol-1-yl)acetate scorpionate
Formula:	C8 H8 N4 O2
SMILES:	OC(=O)C(n1cccn1)n2cccn2
InChi:	InChI=1S/C8H8N4O2/c13-8(14)7(11-5-1-3-9-11)12-6-2-4-10-12/h1-7H,(H,13,14)
Synonyms:	BPZ
Definition date:	2016-06-08
Last modified:	2020-06-17
Release date:	2017-02-22
Identifier:	2,2-di(pyrazol-1-yl)ethanoic acid

6SB

6SB
Name:	Taurodeoxycholate
Formula:	C26 H45 N O6 S
SMILES:	C[CH](CCC(=O)NCC[S](O)(=O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C
InChi:	InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
Synonyms:	2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6 ,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Definition date:	2016-06-14
Last modified:	2020-06-17
Release date:	2016-07-20
Identifier:	2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid

6SY

6SY
Name:	Uridine-3',5'-cyclic monophosphate
Formula:	C9 H11 N2 O8 P
SMILES:	O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1N3C=CC(=O)NC3=O
InChi:	InChI=1S/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)/t4-,6-,7-,8-/m1/s1
Synonyms:	cUMP
Definition date:	2016-06-16
Last modified:	2020-06-17
Release date:	2016-09-14
Identifier:	1-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione

6T1

6T1
Name:	2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
Formula:	C30 H34 Cl2 N4 O2
SMILES:	Clc1ccc(CCN2CC(C2)Oc3ccccc3c4cc(ccn4)C(=O)NCCCN5CCCC5)cc1Cl
InChi:	InChI=1S/C30H34Cl2N4O2/c31-26-9-8-22(18-27(26)32)11-17-36-20-24(21-36)38-29-7-2-1-6-25(29)28-19-23(10-13-33-28)30(37)34-12-5-16-35-14-3-4-15-35/h1-2,6-10,13,18-19,24H,3-5,11-12,14-17,20-21H2,(H,34,37)
Synonyms:	AZ13450370
Definition date:	2016-06-21
Last modified:	2020-06-17
Release date:	2016-12-07
Identifier:	2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

6T2

6T2
Name:	1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine
Formula:	C26 H29 N5 O2
SMILES:	CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4
InChi:	InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
Synonyms:	Crenolanib
Definition date:	2016-06-17
Last modified:	2020-06-17
Release date:	2017-11-29
Identifier:	1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine

6UB

6UB
Name:	amlodipine
Formula:	C20 H25 Cl N2 O5
SMILES:	CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C
InChi:	InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
Synonyms:	~{O}3-ethyl ~{O}5-methyl (4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Definition date:	2016-06-27
Last modified:	2020-06-17
Release date:	2016-08-31
Identifier:	~{O}3-ethyl ~{O}5-methyl (4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

IM3

IM3
Name:	(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID
Formula:	C9 H9 N O4
SMILES:	O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1
InChi:	InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+
Synonyms:	IMINO-DOPA
Definition date:	2006-12-14
Last modified:	2020-06-17
Identifier:	(2E)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid

IM4

IM4
Name:	(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine
Formula:	C9 H10 Cl N5 O2
SMILES:	[O-][N+](=O)/N=C1NCCN1Cc2cnc(Cl)cc2
InChi:	InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
Synonyms:	imidacloprid
Definition date:	2008-02-11
Last modified:	2020-06-17
Identifier:	(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine

IM5

IM5
Name:	2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:	C12 H17 N5 O3
SMILES:	O=C2NC(=Nc1c(cnc12)CN3CC(C(O)C3)CO)N
InChi:	InChI=1S/C12H17N5O3/c13-12-15-9-6(1-14-10(9)11(20)16-12)2-17-3-7(5-18)8(19)4-17/h1,7-8,14,18-19H,2-5H2,(H3,13,15,16,20)/t7-,8+/m1/s1
Synonyms:	DADMe-ImmG
Definition date:	2010-11-05
Last modified:	2020-06-17
Identifier:	2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

6UR

6UR
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]p hosphonamidic acid
Formula:	C20 H24 N7 O6 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NCCc4c[nH]c5ccccc45)[CH](O)[CH]3O
InChi:	InChI=1S/C20H24N7O6P/c21-18-15-19(24-9-23-18)27(10-25-15)20-17(29)16(28)14(33-20)8-32-34(30,31)26-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,28-29H,5-6,8H2,(H2,21,23,24)(H2,26,30,31)/t14-,16-,17-,20-/m1/s1
Synonyms:	TpAd
Definition date:	2016-06-28
Last modified:	2020-06-17
Release date:	2017-06-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid

6UT

6UT
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~ {S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
Formula:	C22 H27 N8 O8 P
SMILES:	CNC(=O)[CH](Cc1c[nH]c2ccccc12)N[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N
InChi:	InChI=1S/C22H27N8O8P/c1-24-19(33)13(6-10-7-25-12-5-3-2-4-11(10)12)29-39(35,36)37-8-14-16(31)17(32)21(38-14)30-9-26-15-18(30)27-22(23)28-20(15)34/h2-5,7,9,13-14,16-17,21,25,31-32H,6,8H2,1H3,(H,24,33)(H2,29,35,36)(H3,23,27,28,34)/t13-,14+,16+,17+,21+/m0/s1
Synonyms:	L-Trp-G
Definition date:	2016-06-28
Last modified:	2020-06-17
Release date:	2017-06-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid

IMB

IMB
Name:	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
Formula:	C10 H12 N2 O6 P2
SMILES:	O=P(O)(O)C(Nc2nccc1ccccc12)P(=O)(O)O
InChi:	InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
Synonyms:	(3-ISOQUINOLYLAMINE) METHYLENE-1,1-BISPHOSPHONATE
Definition date:	2004-04-20
Last modified:	2020-06-17
Identifier:	[(isoquinolin-1-ylamino)methanediyl]bis(phosphonic acid)

6UZ

6UZ
Name:	omega-undecylenyl-beta-D-maltopyranoside
Formula:	C23 H42 O11
SMILES:	OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)O[CH]2CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C23H42O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h2,14-30H,1,3-13H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
Synonyms:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl )-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol
Definition date:	2016-06-29
Last modified:	2020-06-17
Release date:	2017-03-22
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol

IMK

IMK
Name:	2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1-BENZIMIDAZOLE
Formula:	C14 H18 N2 O5
SMILES:	OC1C(O)C(O)C(OC1CO)c3nc2cc(ccc2n3)C
InChi:	InChI=1S/C14H18N2O5/c1-6-2-3-7-8(4-6)16-14(15-7)13-12(20)11(19)10(18)9(5-17)21-13/h2-4,9-13,17-20H,5H2,1H3,(H,15,16)/t9-,10-,11+,12-,13-/m1/s1
Synonyms:	2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,2,3-BENZIMIDAZOLE
Definition date:	2004-10-05
Last modified:	2020-06-17
Identifier:	(1S)-1,5-anhydro-1-(5-methyl-1H-benzimidazol-2-yl)-D-glucitol

IN8

IN8
Name:	[2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
Formula:	C19 H18 N4 O3 S2
SMILES:	O=C(Nc1nnc(S)s1)CC(c2ccccc2)NC(=O)OCc3ccccc3
InChi:	InChI=1S/C19H18N4O3S2/c24-16(21-17-22-23-19(27)28-17)11-15(14-9-5-2-6-10-14)20-18(25)26-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,25)(H,23,27)(H,21,22,24)/t15-/m1/s1
Synonyms:	PNU-141803
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	benzyl {(1R)-3-oxo-1-phenyl-3-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)amino]propyl}carbamate

6VW

6VW
Name:	(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop enta[a]phenanthren-3-one
Formula:	C18 H26 O2
SMILES:	C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O
InChi:	InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
Synonyms:	19-nortestosterone
Definition date:	2016-07-06
Last modified:	2020-06-17
Release date:	2016-09-07
Identifier:	(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-one

6W7

6W7
Name:	[(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
Formula:	C10 H14 N5 O5 P
SMILES:	O[P](O)(=O)CO[CH]1CNC[CH]1n2cnc3C(=O)NC=Nc23
InChi:	InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1
Synonyms:	[3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid
Definition date:	2016-07-08
Last modified:	2020-06-17
Release date:	2017-09-20
Identifier:	[(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid

6W8

6W8
Name:	[(3~{S},4~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
Formula:	C10 H15 N6 O5 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3CNC[CH]3OC[P](O)(O)=O
InChi:	InChI=1S/C10H15N6O5P/c11-10-14-8-7(9(17)15-10)13-3-16(8)5-1-12-2-6(5)21-4-22(18,19)20/h3,5-6,12H,1-2,4H2,(H2,18,19,20)(H3,11,14,15,17)/t5-,6+/m1/s1
Synonyms:	[3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid
Definition date:	2016-07-08
Last modified:	2020-06-17
Release date:	2017-09-20
Identifier:	[(3~{S},4~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid

INS

INS
Name:	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
Synonyms:	MYO-INOSITOL
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol

6WN

6WN
Name:	(8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one
Formula:	C25 H26 O2
SMILES:	C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC(=Cc5ccccc5)C2=O
InChi:	InChI=1S/C25H26O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,13-14,21-23,26H,7,9,11-12,15H2,1H3/b18-13+/t21-,22-,23+,25+/m1/s1
Synonyms:	16-benzylidene estrone
Definition date:	2016-07-11
Last modified:	2020-06-17
Release date:	2017-02-15
Identifier:	(8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

IP9

IP9
Name:	(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate
Formula:	C25 H50 O22 P4
SMILES:	O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC
InChi:	InChI=1S/C25H50O22P4/c1-3-5-7-9-11-13-18(26)41-15-17(43-19(27)14-12-10-8-6-4-2)16-42-51(39,40)47-22-20(28)23(44-48(30,31)32)25(46-50(36,37)38)24(21(22)29)45-49(33,34)35/h17,20-25,28-29H,3-16H2,1-2H3,(H,39,40)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t17-,20+,21+,22-,23+,24-,25-/m1/s1
Synonyms:	L-a-Phosphatidyl-D-myo-inositol 3,4,5-triphosphate, dioctanoyl
Definition date:	2010-07-28
Last modified:	2020-06-17
Identifier:	(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate

IPE

IPE
Name:	3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE
Formula:	C5 H12 O7 P2
SMILES:	O=P(OP(=O)(O)O)(OCCC(=C)C)O
InChi:	InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
Synonyms:	ISOPENTENYL PYROPHOSPHATE
Definition date:	2005-03-16
Last modified:	2020-06-17
Identifier:	3-methylbut-3-en-1-yl trihydrogen diphosphate

6Y1

6Y1
Name:	~{N}-(1-adamantyl)-2-selanyl-benzamide
Formula:	C17 H21 N O Se
SMILES:	[SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3
InChi:	InChI=1S/C17H21NOSe/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19)/t11-,12+,13-,17-
Synonyms:	Adamantyl Ebselen (open form)
Definition date:	2016-07-21
Last modified:	2020-06-17
Release date:	2017-03-29
Identifier:	~{N}-(1-adamantyl)-2-selanyl-benzamide

6ZV

6ZV
Name:	N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
Formula:	C27 H32 F2 N8
SMILES:	C(C)N1CCN(CC1)Cc5ccc(Nc2nc(c(F)cn2)c4cc3c(nc(C)n3C(C)C)c(c4)F)nc5
InChi:	InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
Synonyms:	Abemaciclib
Definition date:	2016-08-03
Last modified:	2020-06-17
Release date:	2016-08-23
Identifier:	N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine

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