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D62

D62
Name:	(4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
Formula:	C27 H30 N6 O3 S
SMILES:	COc1ccc(cc1OC)C2=NN(C3CCN(CC3)c4nc(N)nc5sccc45)C(=O)[CH]6CC=CC[CH]26
InChi:	InChI=1S/C27H30N6O3S/c1-35-21-8-7-16(15-22(21)36-2)23-18-5-3-4-6-19(18)26(34)33(31-23)17-9-12-32(13-10-17)24-20-11-14-37-25(20)30-27(28)29-24/h3-4,7-8,11,14-15,17-19H,5-6,9-10,12-13H2,1-2H3,(H2,28,29,30)/t18-,19+/m0/s1
Definition date:	2017-12-28
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	(4~{a}~{S},8~{a}~{R})-2-[1-(2-azanylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one

D68

D68
Name:	1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione
Formula:	C30 H34 F4 N4 O6
SMILES:	CC1(C)CC(=O)N(CC(=O)N2CCC(CC2)N3N=C([CH]4CC=CC[CH]4C3=O)c5ccc(OC(F)F)c(OC(F)F)c5)C(=O)C1
InChi:	InChI=1S/C30H34F4N4O6/c1-30(2)14-23(39)37(24(40)15-30)16-25(41)36-11-9-18(10-12-36)38-27(42)20-6-4-3-5-19(20)26(35-38)17-7-8-21(43-28(31)32)22(13-17)44-29(33)34/h3-4,7-8,13,18-20,28-29H,5-6,9-12,14-16H2,1-2H3/t19-,20+/m0/s1
Definition date:	2017-12-29
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione

EJQ

EJQ
Name:	~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide
Formula:	C12 H15 F N2 O
SMILES:	Fc1ccc(NC(=O)CN2CCCC2)cc1
InChi:	InChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
Definition date:	2018-03-23
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide

EJW

EJW
Name:	(3-phenyl-1,2-oxazol-5-yl)methylazanium
Formula:	C10 H11 N2 O
SMILES:	[NH3+]Cc1onc(c1)c2ccccc2
InChi:	InChI=1S/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2/p+1
Definition date:	2018-03-23
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	(3-phenyl-1,2-oxazol-5-yl)methylazanium

ELK

ELK
Name:	~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide
Formula:	C22 H26 N4 O4
SMILES:	COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(OC)cccc34)ccc1C
InChi:	InChI=1S/C22H26N4O4/c1-14-7-8-15(13-19(14)30-3)23-21(27)25-11-9-16(10-12-25)26-17-5-4-6-18(29-2)20(17)24-22(26)28/h4-8,13,16H,9-12H2,1-3H3,(H,23,27)(H,24,28)
Definition date:	2018-03-27
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide

ELN

ELN
Name:	~{N}-(4-chlorophenyl)-2-cyano-ethanamide
Formula:	C9 H7 Cl N2 O
SMILES:	Clc1ccc(NC(=O)CC#N)cc1
InChi:	InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
Definition date:	2018-03-27
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	~{N}-(4-chlorophenyl)-2-cyano-ethanamide

ENZ

ENZ
Name:	(4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one
Formula:	C15 H15 N3 O
SMILES:	C[CH]1NN(C(=O)[CH]1c2ccccc2)c3ccccn3
InChi:	InChI=1S/C15H15N3O/c1-11-14(12-7-3-2-4-8-12)15(19)18(17-11)13-9-5-6-10-16-13/h2-11,14,17H,1H3/t11-,14+/m1/s1
Definition date:	2018-04-03
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	(4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one

EO8

EO8
Name:	4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid
Formula:	C15 H9 N O7
SMILES:	OC(=O)c1ccccc1C(=O)c2ccc(C(O)=O)c(c2)[N+]([O-])=O
InChi:	InChI=1S/C15H9NO7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)
Definition date:	2018-04-03
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid

FJJ

FJJ
Name:	(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)
Formula:	C32 H52 N2 O10
SMILES:	C(COC1OC(CO)C(O)C(C1O)O)(C(O)C(CCCC(=O)N=[C@H]CCCc2ccccc2)O)NC(CCCCCCC)=O
InChi:	InChI=1S/C32H52N2O10/c1-2-3-4-5-9-17-27(38)34-23(21-43-32-31(42)30(41)29(40)25(20-35)44-32)28(39)24(36)16-12-18-26(37)33-19-11-10-15-22-13-7-6-8-14-22/h6-8,13-14,19,23-25,28-32,35-36,39-42H,2-5,9-12,15-18,20-21H2,1H3,(H,34,38)/b33-19+/t23-,24+,25+,28-,29-,30-,31+,32-/m0/s1
Definition date:	2018-04-03
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)

FVH

FVH
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C21 H34 N7 O17 P3
SMILES:	NC(=O)[CH]1CCCN(C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H34N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h7-11,13-16,20-21,29-31H,1-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Definition date:	2018-07-31
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

FXW

FXW
Name:	6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE)
Formula:	C22 H26 N4 O4 S2
SMILES:	O=[S]1(=O)NCN(C2CC2)c3cc(CCc4ccc5c(c4)N(CN[S]5(=O)=O)C6CC6)ccc13
InChi:	InChI=1S/C22H26N4O4S2/c27-31(28)21-9-3-15(11-19(21)25(13-23-31)17-5-6-17)1-2-16-4-10-22-20(12-16)26(18-7-8-18)14-24-32(22,29)30/h3-4,9-12,17-18,23-24H,1-2,5-8,13-14H2
Definition date:	2018-08-15
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	4-cyclopropyl-6-[2-[4-cyclopropyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazin-6-yl]ethyl]-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide

FYE

FYE
Name:	6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide
Formula:	C17 H18 F N O4
SMILES:	OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2
InChi:	InChI=1S/C17H18FNO4/c18-11-4-5-14-12(8-11)13(20)9-15(23-14)16(21)19-10-17(22)6-2-1-3-7-17/h4-5,8-9,22H,1-3,6-7,10H2,(H,19,21)
Definition date:	2018-08-17
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide

FZV

FZV
Name:	tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Formula:	C30 H37 N3 O3 S
SMILES:	CC(OC(=O)NC(CSC(C(=O)NCCc1cccnc1)Cc2ccccc2)Cc3ccccc3)(C)C
InChi:	InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m0/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

G0D

G0D
Name:	tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Formula:	C29 H35 N3 O3 S
SMILES:	C(SC(Cc1ccccc1)C(=O)NCc2cnccc2)C(Cc3ccccc3)NC(=O)OC(C)(C)C
InChi:	InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26-/m1/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

G0J

G0J
Name:	Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide
Formula:	C29 H36 N4 O3
SMILES:	C(=O)(C(Cc1ccccc1)NCC(NC(=O)OC(C)(C)C)Cc2ccccc2)NCc3cccnc3
InChi:	InChI=1S/C29H36N4O3/c1-29(2,3)36-28(35)33-25(17-22-11-6-4-7-12-22)21-31-26(18-23-13-8-5-9-14-23)27(34)32-20-24-15-10-16-30-19-24/h4-16,19,25-26,31H,17-18,20-21H2,1-3H3,(H,32,34)(H,33,35)/t25-,26+/m0/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide

G0M

G0M
Name:	tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Formula:	C29 H35 N3 O3 S
SMILES:	C(SC(Cc1ccccc1)C(=O)NCc2cnccc2)C(Cc3ccccc3)NC(=O)OC(C)(C)C
InChi:	InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26+/m0/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

G0V

G0V
Name:	tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Formula:	C30 H37 N3 O3 S
SMILES:	CC(OC(NC(Cc1ccccc1)CSC(C(=O)NCCc2cccnc2)Cc3ccccc3)=O)(C)C
InChi:	InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27-/m1/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

G0Y

G0Y
Name:	tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Formula:	C30 H37 N3 O3 S
SMILES:	C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(C(=O)NCCc2cccnc2)Cc3ccccc3
InChi:	InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m1/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

J8V

J8V
Name:	3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
Formula:	C20 H13 F3 N2 O5
SMILES:	C=2(Oc1ccccc1)C=C(C(F)(F)F)NC(C=2C(=O)Nc3cc(ccc3)C(O)=O)=O
InChi:	InChI=1S/C20H13F3N2O5/c21-20(22,23)15-10-14(30-13-7-2-1-3-8-13)16(18(27)25-15)17(26)24-12-6-4-5-11(9-12)19(28)29/h1-10H,(H,24,26)(H,25,27)(H,28,29)
Definition date:	2018-08-23
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid

J8Y

J8Y
Name:	2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
Formula:	C14 H9 F3 N6 O2
SMILES:	c1ccc(cc1c2nnnn2)NC(C=3C(=O)NC(=CC=3)C(F)(F)F)=O
InChi:	InChI=1S/C14H9F3N6O2/c15-14(16,17)10-5-4-9(13(25)19-10)12(24)18-8-3-1-2-7(6-8)11-20-22-23-21-11/h1-6H,(H,18,24)(H,19,25)(H,20,21,22,23)
Definition date:	2018-08-23
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide

J91

J91
Name:	2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
Formula:	C20 H12 F4 N2 O5
SMILES:	C(c2c(Oc1c(cccc1)F)c(ccc2)NC(=O)C3=CC=C(C(F)(F)F)NC3=O)(=O)O
InChi:	InChI=1S/C20H12F4N2O5/c21-12-5-1-2-7-14(12)31-16-10(19(29)30)4-3-6-13(16)25-17(27)11-8-9-15(20(22,23)24)26-18(11)28/h1-9H,(H,25,27)(H,26,28)(H,29,30)
Definition date:	2018-08-23
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid

G1D

G1D
Name:	Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide
Formula:	C30 H38 N4 O3
SMILES:	C(=O)(C(NCC(Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)NCCc3cccnc3
InChi:	InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)34-26(19-23-11-6-4-7-12-23)22-33-27(20-24-13-8-5-9-14-24)28(35)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27,33H,16,18-20,22H2,1-3H3,(H,32,35)(H,34,36)/t26-,27+/m0/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide

J97

J97
Name:	3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid
Formula:	C20 H11 Cl2 F3 N2 O4 S
SMILES:	c3(SC1=C(C(=O)NC(=C1)C(F)(F)F)C(Nc2cccc(c2)C(=O)O)=O)c(Cl)cccc3Cl
InChi:	InChI=1S/C20H11Cl2F3N2O4S/c21-11-5-2-6-12(22)16(11)32-13-8-14(20(23,24)25)27-18(29)15(13)17(28)26-10-4-1-3-9(7-10)19(30)31/h1-8H,(H,26,28)(H,27,29)(H,30,31)
Definition date:	2018-08-23
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid

G1J

G1J
Name:	tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Formula:	C29 H35 N3 O3 S
SMILES:	C(Cc1ccccc1)(C(=O)NCc2cnccc2)SCC(Cc3ccccc3)NC(=O)OC(C)(C)C
InChi:	InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26+/m1/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

JBS

JBS
Name:	1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol
Formula:	C30 H32 N6 O3
SMILES:	O5CCN(c3c1cc(ccc1nc(c2cnn(CC(C)(O)C)c2)n3)c4c(C)onc4C)C(C5)c6ccccc6
InChi:	InChI=1S/C30H32N6O3/c1-19-27(20(2)39-34-19)22-10-11-25-24(14-22)29(36-12-13-38-17-26(36)21-8-6-5-7-9-21)33-28(32-25)23-15-31-35(16-23)18-30(3,4)37/h5-11,14-16,26,37H,12-13,17-18H2,1-4H3/t26-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol

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