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H3T

H3T
Name:	Phospholipid PG(16:0/cy17:0)
Formula:	C39 H75 O10 P
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH]1C[CH]1CCCCCC
InChi:	InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35+,36-,37+/m0/s1
Definition date:	2018-11-14
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	[(2~{R})-3-[[(2~{S})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-[8-[(1~{R},2~{S})-2-hexylcyclopropyl]octanoyloxy]propyl] hexadecanoate

H9E

H9E
Name:	[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
Formula:	C9 H9 B Br O3 S
SMILES:	O[B-](O)(O)c1sc2ccc(CBr)cc2c1
InChi:	InChI=1S/C9H9BBrO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5H2/q-1
Definition date:	2018-12-03
Last modified:	2019-10-18
Release date:	2019-05-15
Identifier:	[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide

K1U

K1U
Name:	(3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid
Formula:	C19 H18 O4 S
SMILES:	OC(CC(Cc1ccccc1)C(=O)SCC(=O)c2ccccc2)=O
InChi:	InChI=1S/C19H18O4S/c20-17(15-9-5-2-6-10-15)13-24-19(23)16(12-18(21)22)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22)/t16-/m1/s1
Definition date:	2018-11-02
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid

K2U

K2U
Name:	(3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid
Formula:	C18 H20 O3 S
SMILES:	O[CH](SCc1ccccc1)[CH](CC(O)=O)Cc2ccccc2
InChi:	InChI=1S/C18H20O3S/c19-17(20)12-16(11-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16,18,21H,11-13H2,(H,19,20)/t16-,18-/m1/s1
Definition date:	2018-11-04
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid

K3U

K3U
Name:	S-(2-oxo-2-phenylethyl) (2R)-2-benzyl-4,4,4-trifluorobutanethioate
Formula:	C19 H17 F3 O2 S
SMILES:	O=C(c1ccccc1)CSC(=O)C(Cc2ccccc2)CC(F)(F)F
InChi:	InChI=1S/C19H17F3O2S/c20-19(21,22)12-16(11-14-7-3-1-4-8-14)18(24)25-13-17(23)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1
Definition date:	2018-11-01
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	S-(2-oxo-2-phenylethyl) (2R)-2-benzyl-4,4,4-trifluorobutanethioate

K7S

K7S
Name:	N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
Formula:	C23 H18 F3 N3 O2
SMILES:	c1(cc2c(cc1)N(C)C(N2)=O)c4cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc4C
InChi:	InChI=1S/C23H18F3N3O2/c1-13-6-8-17(27-21(30)15-4-3-5-16(10-15)23(24,25)26)12-18(13)14-7-9-20-19(11-14)28-22(31)29(20)2/h3-12H,1-2H3,(H,27,30)(H,28,31)
Definition date:	2018-11-08
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide

K9B

K9B
Name:	(4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
Formula:	C19 H29 B N3 O6
SMILES:	NCCN[CH]1CC[CH](CC1)CC(=O)N[CH]2Cc3cccc(C(O)=O)c3O[B-]2(O)O
InChi:	InChI=1S/C19H29BN3O6/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)29-20(16,27)28/h1-3,12,14,16,22,27-28H,4-11,21H2,(H,23,24)(H,25,26)/q-1/t12-,14-,16-/m0/s1
Definition date:	2019-05-07
Last modified:	2019-10-18
Release date:	2019-09-11
Identifier:	(4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid

O51

O51
Name:	(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
Formula:	C15 H20 Cl F N4 O2
SMILES:	C(CNC(N2CC(C(Nc1cc(F)c(Cl)cc1)=O)CCC2)=O)N
InChi:	InChI=1S/C15H20ClFN4O2/c16-12-4-3-11(8-13(12)17)20-14(22)10-2-1-7-21(9-10)15(23)19-6-5-18/h3-4,8,10H,1-2,5-7,9,18H2,(H,19,23)(H,20,22)/t10-/m0/s1
Definition date:	2019-06-11
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide

O71

O71
Name:	(4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid
Formula:	C25 H24 N4 O4
SMILES:	c4(CC)c(C#CC(c1cc3c(c(c1)c2ccc(cc2)CC(O)=O)OCO3)C)c(nc(n4)N)N
InChi:	InChI=1S/C25H24N4O4/c1-3-20-18(24(26)29-25(27)28-20)9-4-14(2)17-11-19(23-21(12-17)32-13-33-23)16-7-5-15(6-8-16)10-22(30)31/h5-8,11-12,14H,3,10,13H2,1-2H3,(H,30,31)(H4,26,27,28,29)/t14-/m1/s1
Definition date:	2019-06-17
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid

AH3

AH3
Name:	7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:	C13 H17 N O3
SMILES:	c2c1c(CCN(C1)C=O)cc(c2OCC)OC
InChi:	InChI=1S/C13H17NO3/c1-3-17-13-7-11-8-14(9-15)5-4-10(11)6-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3
Definition date:	2018-11-01
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

AH6

AH6
Name:	6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:	C13 H17 N O3
SMILES:	c2c1CN(CCc1cc(c2OC)OCC)C=O
InChi:	InChI=1S/C13H17NO3/c1-3-17-13-6-10-4-5-14(9-15)8-11(10)7-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3
Definition date:	2018-11-01
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

AH9

AH9
Name:	6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:	C12 H15 N O3
SMILES:	c2c1CN(CCc1cc(c2OC)OC)C=O
InChi:	InChI=1S/C12H15NO3/c1-15-11-5-9-3-4-13(8-14)7-10(9)6-12(11)16-2/h5-6,8H,3-4,7H2,1-2H3
Definition date:	2018-11-02
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

AJL

AJL
Name:	(1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:	C21 H22 N2 O3
SMILES:	c2c1C(N(CCc1cc(c2OC)OC)C=O)Cc3cnc4ccccc34
InChi:	InChI=1S/C21H22N2O3/c1-25-20-10-14-7-8-23(13-24)19(17(14)11-21(20)26-2)9-15-12-22-18-6-4-3-5-16(15)18/h3-6,10-13,19,22H,7-9H2,1-2H3/t19-/m0/s1
Definition date:	2018-11-03
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

AJX

AJX
Name:	(1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:	C23 H26 N2 O3
SMILES:	c4c3C(CCCc1cnc2ccccc12)N(CCc3cc(c4OC)OC)C=O
InChi:	InChI=1S/C23H26N2O3/c1-27-22-12-16-10-11-25(15-26)21(19(16)13-23(22)28-2)9-5-6-17-14-24-20-8-4-3-7-18(17)20/h3-4,7-8,12-15,21,24H,5-6,9-11H2,1-2H3/t21-/m0/s1
Definition date:	2018-11-08
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

AK0

AK0
Name:	(1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:	C22 H23 F N2 O3
SMILES:	c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)F
InChi:	InChI=1S/C22H23FN2O3/c1-27-21-9-14-7-8-25(13-26)20(18(14)11-22(21)28-2)6-3-15-12-24-19-10-16(23)4-5-17(15)19/h4-5,9-13,20,24H,3,6-8H2,1-2H3/t20-/m0/s1
Definition date:	2018-11-08
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

AKO

AKO
Name:	(1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:	C23 H26 N2 O3
SMILES:	c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)C
InChi:	InChI=1S/C23H26N2O3/c1-15-4-6-18-17(13-24-20(18)10-15)5-7-21-19-12-23(28-3)22(27-2)11-16(19)8-9-25(21)14-26/h4,6,10-14,21,24H,5,7-9H2,1-3H3/t21-/m0/s1
Definition date:	2018-11-08
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

AKU

AKU
Name:	(1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:	C22 H24 N2 O3
SMILES:	c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3cccc4
InChi:	InChI=1S/C22H24N2O3/c1-26-21-11-15-9-10-24(14-25)20(18(15)12-22(21)27-2)8-7-16-13-23-19-6-4-3-5-17(16)19/h3-6,11-14,20,23H,7-10H2,1-2H3/t20-/m0/s1
Definition date:	2018-11-08
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	(1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

OJ7

OJ7
Name:	3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole
Formula:	C15 H10 Cl F3 N2
SMILES:	c31c(nc(c1c2c(Cl)cc(cn2)C(F)(F)F)C)cccc3
InChi:	InChI=1S/C15H10ClF3N2/c1-8-13(10-4-2-3-5-12(10)21-8)14-11(16)6-9(7-20-14)15(17,18)19/h2-7,21H,1H3
Definition date:	2019-06-25
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole

P6J

P6J
Name:	N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
Formula:	C22 H21 F2 N5 O3 S
SMILES:	COCC12C(C1)C(N=C(S2)N)(C)c3c(F)c(F)cc(c3)NC(=O)c4cnc(cn4)OCC#C
InChi:	InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1
Definition date:	2019-08-01
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide

VV7

VV7
Name:	DENDRON-D3
Formula:	C69 H77 N20 O39
SMILES:	[O][C][C]1O[C]([C]([O])[C]([O])[C]1[O])n2cc(OC[C](COCc3cn(nn3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)(COCc5cn(nn5)[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)NC(=O)c7cc(CO)cc(c7)C(=O)N[C](COCc8cn(nn8)[C]9O[C]([C][O])[C]([O])[C]([O])[C]9[O])(COCc%10cn(nn%10)[CH]%11O[CH](CO)[CH](O)[CH](O)[CH]%11O)OCc%12cn(nn%12)[CH]%13O[CH](CO)[CH](O)[CH](O)[CH]%13O)nn2
InChi:	InChI=1S/C69H100N20O39/c90-10-27-1-28(60(115)70-68(24-121-41-9-89(83-77-41)67-59(114)53(108)47(102)40(16-96)128-67,22-117-17-30-4-84(78-72-30)62-54(109)48(103)42(97)35(11-91)123-62)23-118-18-31-5-85(79-73-31)63-55(110)49(104)43(98)36(12-92)124-63)3-29(2-27)61(116)71-69(122-21-34-8-88(82-76-34)66-58(113)52(107)46(101)39(15-95)127-66,25-119-19-32-6-86(80-74-32)64-56(111)50(105)44(99)37(13-93)125-64)26-120-20-33-7-87(81-75-33)65-57(112)51(106)45(100)38(14-94)126-65/h1-9,35-40,42-59,62-67,90-114H,10-26H2,(H,70,115)(H,71,116)/t35-,36+,37-,38?,39+,40?,42-,43-,44-,45?,46-,47?,48+,49?,50+,51?,52?,53?,54-,55?,56-,57?,58?,59?,62-,63+,64-,65?,66+,67?,68+,69+/m0/s1
Definition date:	2014-09-04
Last modified:	2019-10-17
Release date:	2014-11-12

G0Z

G0Z
Name:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C31 H45 N15 O22 P4 S
SMILES:	CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=NC6C5N=CN=C6N)n7cnc8c(N)ncnc78)[CH](O)[CH]2O)C9=C1C(=O)NC(=N9)N
InChi:	InChI=1S/C31H45N15O22P4S/c1-43-9-46(26-15(43)27(52)42-31(34)41-26)29-19(50)17(48)11(64-29)3-61-70(55,56)67-72(59,73)68-71(57,58)62-4-12-21(20(51)30(65-12)45-8-40-14-23(33)36-6-38-25(14)45)66-69(53,54)60-2-10-16(47)18(49)28(63-10)44-7-39-13-22(32)35-5-37-24(13)44/h5-8,10-13,16-21,24,28-30,47-51H,2-4,9H2,1H3,(H,53,54)(H,55,56)(H,57,58)(H,59,73)(H2,32,35,37)(H2,33,36,38)(H3,34,41,42,52)/t10-,11-,12-,13?,16-,17-,18-,19-,20-,21-,24?,28-,29-,30-,72-/m1/s1
Definition date:	2018-08-21
Last modified:	2019-10-17
Release date:	2019-06-19
Identifier:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

BVN

BVN
Name:	2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
Formula:	C22 H27 N3 O5
SMILES:	CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
InChi:	InChI=1S/C22H27N3O5/c1-3-24(4-2)15-16-30-22(27)18-5-9-19(10-6-18)23-14-13-21(26)17-7-11-20(12-8-17)25(28)29/h5-12,23H,3-4,13-16H2,1-2H3
Definition date:	2017-10-17
Last modified:	2019-10-17
Release date:	2018-10-31
Identifier:	2-(diethylamino)ethyl 4-[[3-(4-nitrophenyl)-3-oxidanylidene-propyl]amino]benzoate

NBR

NBR
Name:	1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine
Formula:	C30 H36 N4 O2
SMILES:	CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(cc4)N(C)C)cc3)cc2)cc1
InChi:	InChI=1S/C30H36N4O2/c1-31(2)27-13-17-33(18-14-27)23-25-5-9-29(10-6-25)35-21-22-36-30-11-7-26(8-12-30)24-34-19-15-28(16-20-34)32(3)4/h5-20H,21-24H2,1-4H3/q+2
Definition date:	2016-01-13
Last modified:	2019-10-17
Release date:	2016-03-23
Identifier:	1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-~{N},~{N}-dimethyl-pyridin-1-ium-4-amine

GUX

GUX
Name:	(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
Formula:	C15 H26 N4 O5
SMILES:	O[CH]1[CH](O)[CH]2[CH]([CH]([CH]1O)C(O)=O)N2CCCCCCCCN=[N+]=[N-]
InChi:	InChI=1S/C15H26N4O5/c16-18-17-7-5-3-1-2-4-6-8-19-10-9(15(23)24)12(20)14(22)13(21)11(10)19/h9-14,20-22H,1-8H2,(H,23,24)/t9-,10+,11+,12+,13-,14-,19-/m0/s1
Definition date:	2016-06-02
Last modified:	2019-10-16
Release date:	2017-05-31
Identifier:	(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-(8-azidooctyl)-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid

HJQ

HJQ
Name:	(2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine
Formula:	C18 H28 F N3
SMILES:	CN1CCN(C)[CH](CCN2CC[CH](C2)c3ccc(F)cc3)C1
InChi:	InChI=1S/C18H28FN3/c1-20-11-12-21(2)18(14-20)8-10-22-9-7-16(13-22)15-3-5-17(19)6-4-15/h3-6,16,18H,7-14H2,1-2H3/t16-,18+/m0/s1
Definition date:	2018-12-10
Last modified:	2019-10-11
Release date:	2019-10-16
Identifier:	(2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine

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