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N73

N73
Name:	(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide
Formula:	C20 H24 N2 O5 S
SMILES:	CC(C)ON([CH](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2
InChi:	InChI=1S/C20H24N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19H,1-4H3/t19-/m1/s1
Definition date:	2014-12-19
Last modified:	2019-05-17
Release date:	2015-04-22
Identifier:	(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide

N8J

N8J
Name:	(2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Formula:	C27 H26 Cl2 N2 O4 S
SMILES:	N2(CC1CCC1)CC(Oc3c2cc(cc3)C(NS(Cc4ccccc4)(=O)=O)=O)c5ccc(Cl)cc5Cl
InChi:	InChI=1S/C27H26Cl2N2O4S/c28-21-10-11-22(23(29)14-21)26-16-31(15-18-7-4-8-18)24-13-20(9-12-25(24)35-26)27(32)30-36(33,34)17-19-5-2-1-3-6-19/h1-3,5-6,9-14,18,26H,4,7-8,15-17H2,(H,30,32)/t26-/m1/s1
Definition date:	2019-05-08
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	(2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

ND7

ND7
Name:	5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine
Formula:	C10 H15 N6 O6 P
SMILES:	OP(OCC3C(C(O)C(n1cnc2c1ncnc2N)O3)O)(=O)N
InChi:	InChI=1S/C10H15N6O6P/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	2019-05-10
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine

LRS

LRS
Name:	N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C25 H30 N8 O3
SMILES:	c3(cc2nc(N1CCOCC1)n(c2cc3NC(=O)c5c4ncccn4nc5)C)N6CCC(CC6)CO
InChi:	InChI=1S/C25H30N8O3/c1-30-21-13-20(28-24(35)18-15-27-33-6-2-5-26-23(18)33)22(31-7-3-17(16-34)4-8-31)14-19(21)29-25(30)32-9-11-36-12-10-32/h2,5-6,13-15,17,34H,3-4,7-12,16H2,1H3,(H,28,35)
Definition date:	2019-03-13
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

LS7

LS7
Name:	N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C21 H23 N5 O3
SMILES:	c51c(cc(c(c1)NC(=O)c2cnn3c2nccc3)N4CCOCC4)OC(C5)(C)C
InChi:	InChI=1S/C21H23N5O3/c1-21(2)12-14-10-16(17(11-18(14)29-21)25-6-8-28-9-7-25)24-20(27)15-13-23-26-5-3-4-22-19(15)26/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,27)
Definition date:	2019-03-13
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

LSV

LSV
Name:	N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C21 H23 N5 O4
SMILES:	c45cc(NC(c1c2n(nc1)cccn2)=O)c(N3CCOCC3)cc4OC(C5)(C)CO
InChi:	InChI=1S/C21H23N5O4/c1-21(13-27)11-14-9-16(17(10-18(14)30-21)25-5-7-29-8-6-25)24-20(28)15-12-23-26-4-2-3-22-19(15)26/h2-4,9-10,12,27H,5-8,11,13H2,1H3,(H,24,28)/t21-/m1/s1
Definition date:	2019-03-13
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

LTY

LTY
Name:	N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C22 H23 N7 O
SMILES:	c4c(NC(c1c2n(nc1)cccn2)=O)c(N3CCC(CC3)CN)cc5c4cccn5
InChi:	InChI=1S/C22H23N7O/c23-13-15-4-9-28(10-5-15)20-12-18-16(3-1-6-24-18)11-19(20)27-22(30)17-14-26-29-8-2-7-25-21(17)29/h1-3,6-8,11-12,14-15H,4-5,9-10,13,23H2,(H,27,30)
Definition date:	2019-03-14
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

EXN

EXN
Name:	[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium
Formula:	C20 H21 N2 O
SMILES:	CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4occc4
InChi:	InChI=1S/C20H20N2O/c1-3-22-18-9-6-14(13-21-2)11-17(18)16-8-7-15(12-19(16)22)20-5-4-10-23-20/h4-12,21H,3,13H2,1-2H3/p+1
Definition date:	2018-05-03
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium

EXQ

EXQ
Name:	[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
Formula:	C21 H23 N2 S
SMILES:	CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4scc(C)c4
InChi:	InChI=1S/C21H22N2S/c1-4-23-19-8-5-15(12-22-3)10-18(19)17-7-6-16(11-20(17)23)21-9-14(2)13-24-21/h5-11,13,22H,4,12H2,1-3H3/p+1
Definition date:	2018-05-03
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium

EY2

EY2
Name:	(7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium
Formula:	C16 H18 Br N2
SMILES:	CCn1c2ccc(C[NH2+]C)cc2c3ccc(Br)cc13
InChi:	InChI=1S/C16H17BrN2/c1-3-19-15-7-4-11(10-18-2)8-14(15)13-6-5-12(17)9-16(13)19/h4-9,18H,3,10H2,1-2H3/p+1
Definition date:	2018-05-03
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	(7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium

EYB

EYB
Name:	[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium
Formula:	C19 H20 N3 O
SMILES:	CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4conc4
InChi:	InChI=1S/C19H19N3O/c1-3-22-18-7-4-13(10-20-2)8-17(18)16-6-5-14(9-19(16)22)15-11-21-23-12-15/h4-9,11-12,20H,3,10H2,1-2H3/p+1
Definition date:	2018-05-04
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium

EYE

EYE
Name:	[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
Formula:	C21 H23 N2 S
SMILES:	CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4sc(C)cc4
InChi:	InChI=1S/C21H22N2S/c1-4-23-19-9-6-15(13-22-3)11-18(19)17-8-7-16(12-20(17)23)21-10-5-14(2)24-21/h5-12,22H,4,13H2,1-3H3/p+1
Definition date:	2018-05-04
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium

EYQ

EYQ
Name:	~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide
Formula:	C25 H31 N7 O2
SMILES:	C[CH](N1CCN(C)CC1)C(=O)Nc2cccc3c2[nH]cc3c4nc(NC(=O)C5CC5)ncc4C
InChi:	InChI=1S/C25H31N7O2/c1-15-13-27-25(30-24(34)17-7-8-17)29-21(15)19-14-26-22-18(19)5-4-6-20(22)28-23(33)16(2)32-11-9-31(3)10-12-32/h4-6,13-14,16-17,26H,7-12H2,1-3H3,(H,28,33)(H,27,29,30,34)/t16-/m1/s1
Definition date:	2018-05-04
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide

EZ2

EZ2
Name:	~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide
Formula:	C22 H21 N5 O2
SMILES:	C[CH](NC(=O)CCC1=NC(=O)c2ccccc2N1)c3ccc(cc3)n4ccnc4
InChi:	InChI=1S/C22H21N5O2/c1-15(16-6-8-17(9-7-16)27-13-12-23-14-27)24-21(28)11-10-20-25-19-5-3-2-4-18(19)22(29)26-20/h2-9,12-15H,10-11H2,1H3,(H,24,28)(H,25,26,29)/t15-/m1/s1
Definition date:	2018-05-08
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide

9JF

9JF
Name:	N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide
Formula:	C20 H13 N O7 S
SMILES:	N(S(=O)(=O)c1c(O)cccc1)c4cc3C(c2ccccc2C(c3c(c4O)O)=O)=O
InChi:	InChI=1S/C20H13NO7S/c22-14-7-3-4-8-15(14)29(27,28)21-13-9-12-16(20(26)19(13)25)18(24)11-6-2-1-5-10(11)17(12)23/h1-9,21-22,25-26H
Definition date:	2018-05-10
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide

9LX

9LX
Name:	2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol
Formula:	C21 H18 F N3 O2
SMILES:	c2(nc1n(cc(cc1)F)c2NCc3ccc(OC)cc3)c4ccccc4O
InChi:	InChI=1S/C21H18FN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3
Definition date:	2018-05-29
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol

9ZC

9ZC
Name:	N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1H-pyrazol-5-yl}acetamide
Formula:	C21 H23 N3 O4
SMILES:	c2(c1c(cc(O)c(c1)C(C)C)O)nnc(c2c3ccc(OC)cc3)NC(=O)C
InChi:	InChI=1S/C21H23N3O4/c1-11(2)15-9-16(18(27)10-17(15)26)20-19(21(24-23-20)22-12(3)25)13-5-7-14(28-4)8-6-13/h5-11,26-27H,1-4H3,(H2,22,23,24,25)
Definition date:	2018-09-07
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1H-pyrazol-5-yl}acetamide

B0F

B0F
Name:	(4R)-3-[(2S,3S)-3-[2-[4-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide
Formula:	C45 H56 N6 O8 S2
SMILES:	Cc1cc(NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)cc(C)c1OCC(=O)N[CH](Cc4ccccc4)[CH](O)C(=O)N5CSC(C)(C)[CH]5C(=O)N[CH]6[CH](O)Cc7ccccc67
InChi:	InChI=1S/C45H56N6O8S2/c1-25-18-29(46-35(53)17-11-10-16-34-38-32(23-60-34)48-44(58)50-38)19-26(2)40(25)59-22-36(54)47-31(20-27-12-6-5-7-13-27)39(55)43(57)51-24-61-45(3,4)41(51)42(56)49-37-30-15-9-8-14-28(30)21-33(37)52/h5-9,12-15,18-19,31-34,37-39,41,52,55H,10-11,16-17,20-24H2,1-4H3,(H,46,53)(H,47,54)(H,49,56)(H2,48,50,58)/t31-,32-,33+,34-,37-,38-,39-,41+/m0/s1
Definition date:	2018-12-20
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	(4~{R})-3-[(2~{S},3~{S})-3-[2-[4-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide

B4L

B4L
Name:	3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
Formula:	C13 H19 N5 O
SMILES:	CN1CCC[CH](C1)NC2=Nc3cc[nH]c3C(=O)N2C
InChi:	InChI=1S/C13H19N5O/c1-17-7-3-4-9(8-17)15-13-16-10-5-6-14-11(10)12(19)18(13)2/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1
Definition date:	2019-01-11
Last modified:	2019-05-14
Release date:	2019-05-01
Identifier:	3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one

B8B

B8B
Name:	cobaltcarborane
Formula:	C6 H7 B18 Co N2 O2 S
SMILES:	N[S](=O)(=O)NCC[C]1234[C]56[B]789[B]15%10[B]7%11%12[B]8%13%14[B]69%15[B]%13%16%17[B]%11%14%18[B]2%10%12[B]3%16%18[Co]4%15%17%19%20[B]%21%22%23[C]%24%25[C]%26%27[B]%24%28%29[B]%21%25%30[B]%28%31%32[B]%26%29%33[B]%19%27%34[B]%31%33%35[B]%22%30%32[B]%20%23%34%35
InChi:	InChI=1S/C4H7B9N2O2S.C2B9.Co/c14-18(16,17)15-2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11
Definition date:	2017-09-21
Last modified:	2019-05-13
Release date:	2018-08-01

K8P

K8P
Name:	[(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate
Formula:	C8 H16 N O7 P
SMILES:	C[CH](N[CH](O)[CH](O)CO[P](O)(O)=O)C(=O)C=C
InChi:	InChI=1S/C8H16NO7P/c1-3-6(10)5(2)9-8(12)7(11)4-16-17(13,14)15/h3,5,7-9,11-12H,1,4H2,2H3,(H2,13,14,15)/t5-,7+,8+/m0/s1
Definition date:	2016-08-11
Last modified:	2019-05-11
Release date:	2017-01-18
Identifier:	[(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate

GBA

GBA
Name:	8-bromoadenosine
Formula:	C10 H12 Br N5 O4
SMILES:	c12n(c(Br)nc1c(ncn2)N)C3C(O)C(O)C(CO)O3
InChi:	InChI=1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
Definition date:	2018-05-18
Last modified:	2019-05-10
Release date:	2019-05-15
Identifier:	8-bromoadenosine

J5H

J5H
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate
Formula:	C32 H42 N7 O17 P3 S
SMILES:	CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4
InChi:	InChI=1S/C32H42N7O17P3S/c1-32(2,26(42)29(43)35-10-9-22(40)34-11-12-60-31(44)20-8-7-18-5-3-4-6-19(18)13-20)15-53-59(50,51)56-58(48,49)52-14-21-25(55-57(45,46)47)24(41)30(54-21)39-17-38-23-27(33)36-16-37-28(23)39/h3-8,13,16-17,21,24-26,30,41-42H,9-12,14-15H2,1-2H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,24-,25-,26+,30-/m1/s1
Definition date:	2019-01-30
Last modified:	2019-05-10
Release date:	2019-05-15
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate

F8Z

F8Z
Name:	1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
Formula:	C32 H38 N4 O7
SMILES:	COc1ccc(NC(=O)Nc2ccc3O[CH](CN(C)Cc4ccc5OCOc5c4)[CH](C)CN([CH](C)CO)C(=O)c3c2)cc1
InChi:	InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30-/m0/s1
Definition date:	2018-06-10
Last modified:	2019-05-10
Release date:	2019-05-15
Identifier:	1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

FJK

FJK
Name:	1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea
Formula:	C37 H41 N9 O3
SMILES:	O=C(Nc1cc(COCc2cn(CCNC3=C4C=CC=CC4=N[CH]5CCCC[CH]35)nn2)ccn1)Nc6cccc7C(=O)N8CCCC[CH]8c67
InChi:	InChI=1S/C37H41N9O3/c47-36-28-10-7-13-31(34(28)32-14-5-6-18-46(32)36)41-37(48)42-33-20-24(15-16-38-33)22-49-23-25-21-45(44-43-25)19-17-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,15-16,20-21,27,30,32,39H,2,4-6,9,12,14,17-19,22-23H2,(H2,38,41,42,48)/t27?,30?,32-/m1/s1
Definition date:	2018-07-12
Last modified:	2019-05-10
Release date:	2019-05-15
Identifier:	1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea

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