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C01

C01
Name:	(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE
Formula:	C25 H30 N O5
SMILES:	[O-]C(=O)C(Oc2c(cc1c(ON(C1=O)C)c2CCC)CCC)c3ccc(cc3)C(C)C
InChi:	InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/p-1/t22-/m0/s1
Synonyms:	ALPHA-ARYLOXYPHENYLACETIC ACID AGONIST
Definition date:	2005-04-26
Last modified:	2020-06-17
Identifier:	(2S)-[4-(1-methylethyl)phenyl][(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]ethanoate

C09

C09
Name:	2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine
Formula:	C13 H14 N4 O
SMILES:	n3c1ccccc1c2c(nc(n2)COCC)c3N
InChi:	InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17)
Synonyms:	CL097
Definition date:	2013-01-22
Last modified:	2020-06-17
Release date:	2013-04-03
Identifier:	2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine

C0L

C0L
Name:	methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate
Formula:	C30 H41 N O7
SMILES:	CC=[C@H]CC=C(/C)C(O)CCC(=[C@H]C=C(/C)C(O)=C1C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C
InChi:	InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1
Synonyms:	Corallopyronin A
Definition date:	2018-08-14
Last modified:	2020-06-17
Release date:	2018-11-21
Identifier:	methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate

C1A

C1A
Name:	(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)
Formula:	C14 H22 N8 S2
SMILES:	S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C
InChi:	InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22)
Synonyms:	4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE
Definition date:	2005-08-31
Last modified:	2020-06-17
Identifier:	(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)

C1C

C1C
Name:	1,1'-binaphthalene-2,2'-dicarboxylic acid
Formula:	C22 H14 O4
SMILES:	O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)cccc3
InChi:	InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26)
Synonyms:	1-(2-carboxynaphth-1yl)-2-naphthoic acid
Definition date:	2010-04-19
Last modified:	2020-06-17
Identifier:	1,1'-binaphthalene-2,2'-dicarboxylic acid

C1M

C1M
Name:	1-(4-CHLOROPHENYL)-1H-TETRAZOLE
Formula:	C7 H5 Cl N4
SMILES:	Clc1ccc(cc1)n2nnnc2
InChi:	InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H
Synonyms:	INHIBITOR OF THROMBIN
Definition date:	2005-12-08
Last modified:	2020-06-17
Identifier:	1-(4-chlorophenyl)-1H-tetrazole

C1Q

C1Q
Name:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide
Formula:	C40 H71 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCc2ccccc2
InChi:	InChI=1S/C40H71NO9/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-33(43)36(45)32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)41-35(44)28-23-17-14-11-12-15-19-24-31-25-20-18-21-26-31/h18,20-21,25-26,32-34,36-40,42-43,45-48H,2-17,19,22-24,27-30H2,1H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1
Synonyms:	(2S,3S,4R)-N-PHENYLDECANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-07
Last modified:	2020-06-17
Identifier:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide

C2A

C2A
Name:	1-(3-CHLOROPHENYL)METHANAMINE
Formula:	C7 H8 Cl N
SMILES:	Clc1cc(ccc1)CN
InChi:	InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
Synonyms:	INHIBITOR OF THROMBIN
Definition date:	2005-12-08
Last modified:	2020-06-17
Identifier:	1-(3-chlorophenyl)methanamine

WDL

WDL
Name:	1,3,5-triazine-2,4,6-triol
Formula:	C3 H3 N3 O3
SMILES:	Oc1nc(O)nc(O)n1
InChi:	InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
Synonyms:	Cyanuric Acid
Definition date:	2012-12-19
Last modified:	2020-06-17
Release date:	2013-05-22
Identifier:	1,3,5-triazine-2,4,6-triol

C2Z

C2Z
Name:	5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid
Formula:	C7 H6 N O6 P
SMILES:	OP(c1ccc(o1)c2cc(O)on2)(O)=O
InChi:	InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12)
Synonyms:	[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid
Definition date:	2015-04-27
Last modified:	2020-06-17
Release date:	2016-03-09
Identifier:	[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid

C3D

C3D
Name:	(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL
Formula:	C28 H31 N O2
SMILES:	O(c1ccc(cc1)C4c2ccc(O)cc2CCC4c3ccccc3)CCN5CCCC5
InChi:	InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
Synonyms:	Lasofoxifene
Definition date:	2007-02-21
Last modified:	2020-06-17
Identifier:	(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C5E

C5E
Name:	(1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE
Formula:	C11 H14 N2 O
SMILES:	O=C1C=CC=C2N1CC3CNCC2C3
InChi:	InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
Synonyms:	CYTISINE
Definition date:	2012-01-23
Last modified:	2020-06-17
Identifier:	(1R,5S)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

C6H

C6H
Name:	1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
Formula:	C24 H33 Cl N2 O2
SMILES:	COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC3CCN(CC3)CC4CCCCC4
InChi:	InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3
Synonyms:	MR28926
Definition date:	2017-11-15
Last modified:	2020-06-17
Release date:	2018-11-21
Identifier:	1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one

C6Q

C6Q
Name:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide
Formula:	C36 H63 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCc2ccccc2
InChi:	InChI=1S/C36H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29(39)32(41)28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)37-31(40)24-19-14-17-22-27-20-15-13-16-21-27/h13,15-16,20-21,28-30,32-36,38-39,41-44H,2-12,14,17-19,22-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1
Synonyms:	(2S,3S,4R)-N-PHENYLHEXANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-06
Last modified:	2020-06-17
Identifier:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide

P7D

P7D
Name:	Resminostat
Formula:	C16 H19 N3 O4 S
SMILES:	c1cc(ccc1CN(C)C)S(n2ccc(C=CC(=O)NO)c2)(=O)=O
InChi:	InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
Synonyms:	(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide
Definition date:	2019-08-02
Last modified:	2020-06-17
Release date:	2019-12-04
Identifier:	(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide

C76

C76
Name:	2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
Formula:	C8 H12 F3 N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O
InChi:	InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	N-trifluoroacetyl-D-glucosamine
Definition date:	2019-04-12
Last modified:	2020-06-17
Release date:	2020-05-13
Identifier:	2,2,2-tris(fluoranyl)-~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

C7M

C7M
Name:	(2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA N-2-AMINIUM
Formula:	C25 H30 Cl N6 O4 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)NCC(O)C(Cc2ccccc2)[NH2+]Cc3cc(Cl)ccc3N4C=NNN4
InChi:	InChI=1S/C25H29ClN6O4S/c1-36-21-8-10-22(11-9-21)37(34,35)29-16-25(33)23(13-18-5-3-2-4-6-18)27-15-19-14-20(26)7-12-24(19)32-17-28-30-31-32/h2-12,14,17,23,25,27,29-31,33H,13,15-16H2,1H3/p+1/t23-,25+/m0/s1
Synonyms:	INHIBITOR OF THROMBIN
Definition date:	2005-12-08
Last modified:	2020-06-17
Identifier:	(2S,3R)-N-[5-chloro-2-(2,3-dihydro-1H-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbutan-2-aminium

P80

P80
Name:	3-[(E)-2-nitroethenyl]phenol
Formula:	C8 H7 N O3
SMILES:	[O-][N+](=O)/C=C/c1cc(O)ccc1
InChi:	InChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H/b5-4+
Synonyms:	(E)-1-(3'-hydroxyphenyl)-2-nitroethene
Definition date:	2010-10-14
Last modified:	2020-06-17
Identifier:	3-[(E)-2-nitroethenyl]phenol

P81

P81
Name:	4-[(E)-2-nitroethenyl]phenol
Formula:	C8 H7 N O3
SMILES:	[O-][N+](=O)/C=C/c1ccc(O)cc1
InChi:	InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+
Synonyms:	(E)-1-(4'-hydroxyphenyl)-2-nitroethene
Definition date:	2010-10-14
Last modified:	2020-06-17
Identifier:	4-[(E)-2-nitroethenyl]phenol

P8D

P8D
Name:	phosphinate pseudodipeptide L-Ala-D-Asp
Formula:	C7 H14 N O6 P
SMILES:	O=P(O)(C(N)C)CC(C(=O)O)CC(=O)O
InChi:	InChI=1S/C7H14NO6P/c1-4(8)15(13,14)3-5(7(11)12)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5+/m1/s1
Synonyms:	(2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
Definition date:	2009-10-23
Last modified:	2020-06-17
Identifier:	(2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid

6O5

6O5
Name:	3-(furan-2-yl)propanoic acid
Formula:	C7 H8 O3
SMILES:	c1c(occ1)CCC(O)=O
InChi:	InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
Synonyms:	MB605
Definition date:	2015-07-21
Last modified:	2020-06-17
Release date:	2015-08-12
Identifier:	3-(furan-2-yl)propanoic acid

6O7

6O7
Name:	Plicamycin, mithramycin analogue MTM SA-Phe
Formula:	C59 H81 N O24
SMILES:	C1(Cc8c(C(=O)C1OC2OC(C)C(C(C2)OC3OC(C)C(O)C(C3)OC4OC(C)C(O)C(O)(C4)C)O)c(c7c(c(C)c(OC5OC(C)C(O)C(C5)OC6CC(C(C(O6)C)O)O)cc7c8)O)O)C(OC)C(NC(C(OC)=O)Cc9ccccc9)=O
InChi:	InChI=1S/C59H81NO24/c1-24-36(80-41-20-37(49(64)26(3)76-41)81-40-19-35(61)48(63)25(2)75-40)18-32-16-31-17-33(55(73-8)57(70)60-34(58(71)74-9)15-30-13-11-10-12-14-30)54(53(68)46(31)52(67)45(32)47(24)62)84-43-22-38(50(65)28(5)78-43)82-42-21-39(51(66)27(4)77-42)83-44-23-59(7,72)56(69)29(6)79-44/h10-14,16,18,25-29,33-35,37-44,48-51,54-56,61-67,69,72H,15,17,19-23H2,1-9H3,(H,60,70)/t25-,26-,27-,28-,29-,33-,34+,35-,37-,38-,39-,40+,41+,42+,43+,44+,48-,49-,50-,51+,54+,55+,56-,59+/m1/s1
Synonyms:	methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-p yran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4 R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-y l]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name)
Definition date:	2016-05-12
Last modified:	2020-06-17
Release date:	2016-09-14
Identifier:	methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name)

P8N

P8N
Name:	(~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide
Formula:	C29 H27 Cl N6 O3 S
SMILES:	Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccc(C=CC(=O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C
InChi:	InChI=1S/C29H27ClN6O3S/c1-16-17(2)40-29-26(16)27(21-9-11-22(30)12-10-21)32-23(28-34-33-18(3)36(28)29)14-25(38)31-15-20-6-4-19(5-7-20)8-13-24(37)35-39/h4-13,23,39H,14-15H2,1-3H3,(H,31,38)(H,35,37)/b13-8+/t23-/m0/s1
Synonyms:	TW22
Definition date:	2020-04-17
Last modified:	2020-06-17
Release date:	2020-05-27
Identifier:	(~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide

P8T

P8T
Name:	~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide
Formula:	C32 H28 Cl N7 O2 S
SMILES:	Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C
InChi:	InChI=1S/C32H28ClN7O2S/c1-17-18(2)43-32-28(17)29(20-8-12-22(33)13-9-20)36-26(30-39-38-19(3)40(30)32)16-27(41)35-23-14-10-21(11-15-23)31(42)37-25-7-5-4-6-24(25)34/h4-15,26H,16,34H2,1-3H3,(H,35,41)(H,37,42)/t26-/m0/s1
Synonyms:	TW9
Definition date:	2020-04-17
Last modified:	2020-06-17
Release date:	2020-05-06
Identifier:	~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide

6OX

6OX
Name:	2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol
Formula:	C29 H28 Cl2 F2 N2 O4 S
SMILES:	CC(C)(O)c1cn(c2ccc(cc2F)c3cc(F)c(CO)c(c3)[S](C)(=O)=O)c(n1)C(C)(C)c4c(Cl)cccc4Cl
InChi:	InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3
Synonyms:	BMS-852927
Definition date:	2016-05-17
Last modified:	2020-06-17
Release date:	2016-11-02
Identifier:	2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]phenyl]imidazol-4-yl]propan-2-ol

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