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A1ATR

A1ATR
Name:	N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide
Formula:	C26 H18 N2 O4 S2
SMILES:	O=C1N=C(NS(=O)(=O)c2cc3ccccc3cc2)SC1=C/c1ccccc1Oc1ccccc1
InChi:	InChI=1S/C26H18N2O4S2/c29-25-24(17-20-10-6-7-13-23(20)32-21-11-2-1-3-12-21)33-26(27-25)28-34(30,31)22-15-14-18-8-4-5-9-19(18)16-22/h1-17H,(H,27,28,29)/b24-17-
Definition date:	2024-05-30
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide

A1D8I

A1D8I
Name:	~{N},2-dimethyl-~{N}-(1-methylindol-5-yl)thieno[3,2-d]pyrimidin-4-amine
Formula:	C17 H16 N4 S
SMILES:	Cn1ccc2cc(ccc12)N(C)c3nc(C)nc4ccsc34
InChi:	InChI=1S/C17H16N4S/c1-11-18-14-7-9-22-16(14)17(19-11)21(3)13-4-5-15-12(10-13)6-8-20(15)2/h4-10H,1-3H3
Definition date:	2024-05-27
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N},2-dimethyl-~{N}-(1-methylindol-5-yl)thieno[3,2-d]pyrimidin-4-amine

A1ACY

A1ACY
Name:	4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside
Formula:	C16 H19 N O7
SMILES:	CC1=CC(=O)Oc2cc(OC3OC(CO)C(O)C(O)C3N)ccc12
InChi:	InChI=1S/C16H19NO7/c1-7-4-12(19)23-10-5-8(2-3-9(7)10)22-16-13(17)15(21)14(20)11(6-18)24-16/h2-5,11,13-16,18,20-21H,6,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1
Definition date:	2024-01-17
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside

JSL

JSL
Name:	~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Formula:	C20 H23 N5 O4 S
SMILES:	COc1ccc(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c(OC)c1
InChi:	InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-16(18)24-20-22-12-21-19(25-20)23-15-10-9-14(28-3)11-17(15)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25)
Definition date:	2023-08-09
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

JT4

JT4
Name:	~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Formula:	C20 H23 N5 O4 S
SMILES:	COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1
InChi:	InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-15(18)23-19-21-12-22-20(25-19)24-16-11-14(28-3)9-10-17(16)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25)
Definition date:	2023-08-09
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

JTR

JTR
Name:	~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Formula:	C19 H21 N5 O3 S
SMILES:	COc1ccccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2
InChi:	InChI=1S/C19H21N5O3S/c1-13(2)28(25,26)17-11-7-5-9-15(17)23-19-21-12-20-18(24-19)22-14-8-4-6-10-16(14)27-3/h4-13H,1-3H3,(H2,20,21,22,23,24)
Definition date:	2023-08-09
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

JUA

JUA
Name:	(2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide
Formula:	C26 H36 N8 O5 S
SMILES:	COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)CCCNC(=O)[CH](N)CCCCN)n2)c1
InChi:	InChI=1S/C26H36N8O5S/c1-38-18-11-12-22(39-2)21(16-18)33-26-31-17-30-25(34-26)32-20-9-3-4-10-23(20)40(36,37)15-7-14-29-24(35)19(28)8-5-6-13-27/h3-4,9-12,16-17,19H,5-8,13-15,27-28H2,1-2H3,(H,29,35)(H2,30,31,32,33,34)/t19-/m0/s1
Definition date:	2023-08-09
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	(2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide

FO6

FO6
Name:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Formula:	C27 H36 O3
SMILES:	CC(C)(O)C#CC#C[C]1(C)CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C
InChi:	InChI=1S/C27H36O3/c1-19-21(17-22(28)18-24(19)29)11-10-20-9-8-15-27(5)23(20)12-16-26(27,4)14-7-6-13-25(2,3)30/h10-11,22-24,28-30H,1,8-9,12,15-18H2,2-5H3/b20-10+,21-11-/t22-,23+,24+,26+,27+/m1/s1
Definition date:	2023-07-20
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

A1IBV

A1IBV
Name:	5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Formula:	C17 H16 Cl N3 O
SMILES:	CN1C=C(C=C(C)C1=O)c2nc(Cl)cn2Cc3ccccc3
InChi:	InChI=1S/C17H16ClN3O/c1-12-8-14(10-20(2)17(12)22)16-19-15(18)11-21(16)9-13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3
Definition date:	2024-05-15
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	5-[4-chloranyl-1-(phenylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one

A1LW9

A1LW9
Name:	~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide
Formula:	C25 H24 N6 O2 S
SMILES:	CCC(=O)Nc1ccc(Cn2nc(c3sc4c(OC)cc(C)cc4c3)c5c(N)ncnc25)cc1
InChi:	InChI=1S/C25H24N6O2S/c1-4-20(32)29-17-7-5-15(6-8-17)12-31-25-21(24(26)27-13-28-25)22(30-31)19-11-16-9-14(2)10-18(33-3)23(16)34-19/h5-11,13H,4,12H2,1-3H3,(H,29,32)(H2,26,27,28)
Definition date:	2024-01-26
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide

A1LWW

A1LWW
Name:	5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide
Formula:	C24 H19 F2 N7 O2
SMILES:	Cc1[nH]c2c(F)c(C#Cc3nn(Cc4cccc(NC(=O)C=C)c4)c(N)c3C(N)=O)c(F)cc2n1
InChi:	InChI=1S/C24H19F2N7O2/c1-3-19(34)31-14-6-4-5-13(9-14)11-33-23(27)20(24(28)35)17(32-33)8-7-15-16(25)10-18-22(21(15)26)30-12(2)29-18/h3-6,9-10H,1,11,27H2,2H3,(H2,28,35)(H,29,30)(H,31,34)
Definition date:	2024-01-22
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide

JRU

JRU
Name:	methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate
Formula:	C21 H23 N5 O5 S
SMILES:	COC(=O)c1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1
InChi:	InChI=1S/C21H23N5O5S/c1-13(2)32(28,29)18-8-6-5-7-15(18)24-20-22-12-23-21(26-20)25-16-11-14(19(27)31-4)9-10-17(16)30-3/h5-13H,1-4H3,(H2,22,23,24,25,26)
Synonyms:	ortho-cresol,2-methylphenol
Definition date:	2023-08-09
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate

WVN

WVN
Name:	1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Formula:	C40 H56
SMILES:	CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=C[CH]2C(=CCCC2(C)C)C
InChi:	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1
Synonyms:	ALPHA-CAROTENE
Definition date:	2023-10-17
Last modified:	2024-06-19
Release date:	2024-05-29
Identifier:	1,3,3-trimethyl-2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R})-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

R3W

R3W
Name:	chloroacetic acid
Formula:	C2 H3 Cl O2
SMILES:	ClCC(=O)O
InChi:	InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
Definition date:	2011-03-22
Last modified:	2024-06-18
Identifier:	chloroacetic acid

USX

USX
Name:	2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide
Formula:	C20 H20 N2 O5
SMILES:	COc1cc(C[CH]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O
InChi:	InChI=1S/C20H20N2O5/c1-12(23)22-15-6-4-3-5-14(15)20(25)16(22)9-13-7-8-17(18(10-13)26-2)27-11-19(21)24/h3-8,10,16H,9,11H2,1-2H3,(H2,21,24)/t16-/m0/s1
Definition date:	2023-06-19
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	2-[4-[[(2~{S})-1-ethanoyl-3-oxidanylidene-2~{H}-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide

Z5X

Z5X
Name:	2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate
Formula:	C20 H16 F7 N3 O3
SMILES:	CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)C1=O
InChi:	InChI=1S/C20H16F7N3O3/c1-28-7-8-30(17(28)31)15-10-11(19(22,23)24)9-14(20(25,26)27)16(15)33-18(32)29(2)13-5-3-12(21)4-6-13/h3-6,9-10H,7-8H2,1-2H3
Definition date:	2023-03-06
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate

YMH

YMH
Name:	~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:	C23 H22 N4 O3
SMILES:	CC(C)c1cc(Oc2ccncc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34
InChi:	InChI=1S/C23H22N4O3/c1-14(2)17-13-20(30-16-7-9-24-10-8-16)15(3)12-18(17)25-22(28)21-19-6-4-5-11-27(19)26-23(21)29/h4-14H,1-3H3,(H,25,28)(H,26,29)
Definition date:	2023-12-05
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide

VTE

VTE
Name:	~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide
Formula:	C22 H22 N2 O6
SMILES:	Oc1cc(cc(O)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4
InChi:	InChI=1S/C22H22N2O6/c25-16-10-15(11-17(26)21(16)28)20(27)19-12-14-9-13(3-4-18(14)30-19)22(29)23-5-8-24-6-1-2-7-24/h3-4,9-12,25-26,28H,1-2,5-8H2,(H,23,29)
Definition date:	2023-03-31
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide

VTR

VTR
Name:	2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide
Formula:	C22 H20 Br2 N2 O6
SMILES:	Oc1c(O)c(Br)c(c(Br)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4
InChi:	InChI=1S/C22H20Br2N2O6/c23-16-15(17(24)20(29)21(30)19(16)28)18(27)14-10-12-9-11(3-4-13(12)32-14)22(31)25-5-8-26-6-1-2-7-26/h3-4,9-10,28-30H,1-2,5-8H2,(H,25,31)
Definition date:	2023-03-31
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide

YC0

YC0
Name:	methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate
Formula:	C33 H46 N2 O6
SMILES:	COC(=O)[CH](CO)NC(=O)N[C]1(C)CC[C]2(C)CC[C]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C]4(C)CC[C]3(C)[CH]2C1)C
InChi:	InChI=1S/C33H46N2O6/c1-19-20-8-9-24-31(4,21(20)16-23(37)26(19)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)34-22(18-36)27(39)41-7/h8-9,16,22,25,36,38H,10-15,17-18H2,1-7H3,(H2,34,35,40)/t22-,25+,29+,30+,31-,32+,33-/m0/s1
Definition date:	2023-11-29
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate

YCC

YCC
Name:	methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate
Formula:	C34 H46 N2 O6
SMILES:	COC(=O)C1(COC1)NC(=O)N[C]2(C)CC[C]3(C)CC[C]4(C)C5=CC=C6C(=C(O)C(=O)C=C6[C]5(C)CC[C]4(C)[CH]3C2)C
InChi:	InChI=1S/C34H46N2O6/c1-20-21-8-9-24-31(4,22(21)16-23(37)26(20)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)36-34(18-42-19-34)27(39)41-7/h8-9,16,25,38H,10-15,17-19H2,1-7H3,(H2,35,36,40)/t25-,29-,30-,31+,32-,33+/m1/s1
Definition date:	2023-11-29
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate

YI7

YI7
Name:	(3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid
Formula:	C39 H44 Cl F N4 O5
SMILES:	Fc1ccc2c(c1)cccc2OCCCc1c2ccc(Cl)c3c4c(CC)n(C)nc4C(CCN4CCOCC4)OCCCCn(c1C(=O)O)c23
InChi:	InChI=1S/C39H44ClFN4O5/c1-3-31-35-34-30(40)14-13-29-28(9-7-21-49-32-10-6-8-25-24-26(41)11-12-27(25)32)38(39(46)47)45(37(29)34)16-4-5-20-50-33(36(35)42-43(31)2)15-17-44-18-22-48-23-19-44/h6,8,10-14,24,33H,3-5,7,9,15-23H2,1-2H3,(H,46,47)/t33-/m1/s1
Definition date:	2023-06-19
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	(3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid

SOU

SOU
Name:	[(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate
Formula:	C12 H20 O2
SMILES:	CC(=O)OCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
Definition date:	2023-04-13
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	[(2~{E})-3,7-dimethylocta-2,6-dienyl] ethanoate

G3Y

G3Y
Name:	(1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C12 H15 N O3 S
SMILES:	N[CH]1[CH]2CO[CH](O2)[CH](Sc3ccccc3)[CH]1O
InChi:	InChI=1S/C12H15NO3S/c13-9-8-6-15-12(16-8)11(10(9)14)17-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9+,10-,11+,12-/m0/s1
Definition date:	2021-12-16
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	(1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

A1ASN

A1ASN
Name:	[(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Formula:	C31 H34 N2 O3
SMILES:	CCCN1CC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:	InChI=1S/C31H34N2O3/c1-2-16-32-19-22(20-32)21-36-27-11-8-23(9-12-27)29-28-13-10-26(34)17-25(28)18-31(14-15-31)33(29)30(35)24-6-4-3-5-7-24/h3-13,17,22,29,34H,2,14-16,18-21H2,1H3/t29-/m1/s1
Definition date:	2024-05-20
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	[(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone

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