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PDB Info pages Status search Chemie search: 3013 results BIRD

WVE

WVE
Name:	(3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H19 Cl N2 O3 S
SMILES:	NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1Cl
InChi:	InChI=1S/C18H19ClN2O3S/c19-16-8-10(22)4-6-14(16)18-13-3-1-2-12(13)15-9-11(25(20,23)24)5-7-17(15)21-18/h4-9,12-13,18,21-22H,1-3H2,(H2,20,23,24)/t12-,13+,18-/m1/s1
Definition date:	2022-10-21
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide

WVR

WVR
Name:	(3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H20 N2 O3 S
SMILES:	NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1
InChi:	InChI=1S/C18H20N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,14-15,18,20-21H,1-3H2,(H2,19,22,23)/t14-,15+,18+/m0/s1
Definition date:	2022-10-21
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide

WVW

WVW
Name:	(3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H20 N2 O3 S
SMILES:	NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1
InChi:	InChI=1S/C18H20N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,14-15,18,20-21H,1-3H2,(H2,19,22,23)/t14-,15+,18+/m1/s1
Definition date:	2022-10-21
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide

OBR

OBR
Name:	(4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine
Formula:	C13 H11 F5 N4 S
SMILES:	FS(F)(F)(F)(F)c1ccc(cc1)Nc1cc(C)nc2nccn12
InChi:	InChI=1S/C13H11F5N4S/c1-9-8-12(22-7-6-19-13(22)20-9)21-10-2-4-11(5-3-10)23(14,15,16,17)18/h2-8,21H,1H3
Definition date:	2022-04-27
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine

5K9

5K9
Name:	(9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol
Formula:	C21 H32 O2
SMILES:	CCCCCc1cc(O)c2[CH]3C[CH](C)CC[CH]3C(C)(C)Oc2c1
InChi:	InChI=1S/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16+,17+/m1/s1
Definition date:	2021-07-12
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(9~{R})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol

AQR

AQR
Name:	(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Formula:	C29 H38 O4
SMILES:	C1=C2C(C(C)=C(C1=O)O)=CC=C3C4(C(CCC23C)(C5C(CC4)(CCC(C5)(C(=O)O)C)C)C)C
InChi:	InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
Definition date:	2018-11-20
Last modified:	2022-12-23
Release date:	2022-12-28
Identifier:	(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

HZO

HZO
Name:	2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one
Formula:	C19 H17 N O
SMILES:	CC1(C)CC(=O)c2cnc3ccc4ccccc4c3c2C1
InChi:	InChI=1S/C19H17NO/c1-19(2)9-14-15(17(21)10-19)11-20-16-8-7-12-5-3-4-6-13(12)18(14)16/h3-8,11H,9-10H2,1-2H3
Definition date:	2021-03-05
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one

1YH

1YH
Name:	(3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
Formula:	C29 H43 N5 O4
SMILES:	O=C(NC(C(=O)N2CC1N(CCC1)CC2C(=O)NC3c4c(OCC3)cccc4)C5CCCCC5)C(NC)C
InChi:	InChI=1S/C29H43N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h6-7,12-13,19-21,23-24,26,30H,3-5,8-11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1
Definition date:	2013-08-02
Last modified:	2022-12-13
Release date:	2013-08-28
Identifier:	(3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

88K

88K
Name:	(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Formula:	C30 H52 O3
SMILES:	CC1(C)CCC[C](C)(O1)[CH]2CC[C]3(C)[CH]2[CH](O)C[CH]4[C]5(C)CC[CH](O)C(C)(C)[CH]5CC[C]34C
InChi:	InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
Synonyms:	Panaxadiol
Definition date:	2021-11-30
Last modified:	2022-12-12
Release date:	2022-12-07
Identifier:	(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{R})-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,12-diol

RDO

RDO
Name:	ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
Formula:	C15 H16 F3 N O3
SMILES:	CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F
InChi:	InChI=1S/C15H16F3NO3/c1-2-22-14(21)7-6-13(20)19-9-8-10-11(15(16,17)18)4-3-5-12(10)19/h3-5H,2,6-9H2,1H3
Synonyms:	(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL
Definition date:	2022-11-29
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate

RGO

RGO
Name:	(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one
Formula:	C11 H9 F2 N O
SMILES:	FC1(F)C[CH]2Cc3ccccc3N2C1=O
InChi:	InChI=1S/C11H9F2NO/c12-11(13)6-8-5-7-3-1-2-4-9(7)14(8)10(11)15/h1-4,8H,5-6H2/t8-/m0/s1
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one

RGU

RGU
Name:	(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one
Formula:	C11 H11 N O
SMILES:	O=C1CC[CH]2Cc3ccccc3N12
InChi:	InChI=1S/C11H11NO/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2/t9-/m1/s1
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one

ECK

ECK
Name:	(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol
Formula:	C32 H56 O2
SMILES:	CC(C)CCC[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C32H56O2/c1-22(2)9-7-10-23(11-8-18-30(3,4)34)27-14-15-28-26-13-12-24-21-25(33)16-19-31(24,5)29(26)17-20-32(27,28)6/h12,22-23,25-29,33-34H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
Definition date:	2022-01-05
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol

EIG

EIG
Name:	Mitragynine pseudoindoxyl
Formula:	C23 H30 N2 O5
SMILES:	O=C(OC)C(=COC)C1CC2N(CC1CC)CCC21Nc2cccc(OC)c2C1=O
InChi:	InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14?,15-,19-,23-/m0/s1
Synonyms:	methyl (2E)-4-[(2S,2'S)-1'-butyl-4-methoxy-3-oxo-1,3-dihydrospiro[indole-2,3'-pyrrolidin]-2'-yl]-2-(methoxymethylidene)butanoate
Definition date:	2021-12-06
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	methyl (2E)-2-[(1'S,4'R,6'S,7'S,8'aS)-6'-ethyl-4-methoxy-3-oxo-1,2',3,3',6',7',8',8'a-octahydro-5'H-spiro[indole-2,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate

IUV

IUV
Name:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Formula:	C17 H17 F3 N2 O5
SMILES:	O[CH]1[CH](O)[CH](n2cc(CCc3ccc(cc3)C(F)(F)F)nc2[CH]1O)C(O)=O
InChi:	InChI=1S/C17H17F3N2O5/c18-17(19,20)9-4-1-8(2-5-9)3-6-10-7-22-11(16(26)27)12(23)13(24)14(25)15(22)21-10/h1-2,4-5,7,11-14,23-25H,3,6H2,(H,26,27)/t11-,12+,13-,14+/m0/s1
Definition date:	2022-07-19
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

IVO

IVO
Name:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Formula:	C8 H10 N2 O5
SMILES:	O[CH]1[CH](O)[CH](n2ccnc2[CH]1O)C(O)=O
InChi:	InChI=1S/C8H10N2O5/c11-4-3(8(14)15)10-2-1-9-7(10)6(13)5(4)12/h1-6,11-13H,(H,14,15)/t3-,4+,5-,6+/m0/s1
Definition date:	2022-07-20
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

NSW

NSW
Name:	3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
Formula:	C25 H21 N4 O3
SMILES:	Oc1ccc(CN2Nc3c(Cc4ccccc4)nc(c[n+]3C2=O)c5ccc(O)cc5)cc1
InChi:	InChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2/p+1
Definition date:	2019-12-12
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-1~{H}-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-one

97I

97I
Name:	(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Formula:	C30 H52 O4
SMILES:	CC(C)=CCC[C](C)(O)[CH]1CC[C]2(C)[CH]1[CH](O)C[CH]3[C]4(C)CC[CH](O)C(C)(C)[CH]4[CH](O)C[C]23C
InChi:	InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30+/m0/s1
Definition date:	2022-01-07
Last modified:	2022-12-02
Release date:	2022-12-07
Identifier:	(3~{S},5~{R},6~{S},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{R})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6,12-triol

WNE

WNE
Name:	3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one
Formula:	C24 H31 F N6 O3 S
SMILES:	O=C1NC2C(CCCCCc3nnn(CCCCN4c5cc(C)ccc5OC4=O)c3F)SCC2N1
InChi:	InChI=1S/C24H31FN6O3S/c1-15-9-10-19-18(13-15)30(24(33)34-19)11-5-6-12-31-22(25)16(28-29-31)7-3-2-4-8-20-21-17(14-35-20)26-23(32)27-21/h9-10,13,17,20-21H,2-8,11-12,14H2,1H3,(H2,26,27,32)/t17-,20-,21-/m0/s1
Definition date:	2022-09-30
Last modified:	2022-11-25
Release date:	2022-11-30
Identifier:	3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one

U9P

U9P
Name:	(5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide
Formula:	C23 H26 N8 O2
SMILES:	CC(C)n1ccc(n1)c1cn2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC
InChi:	InChI=1S/C23H26N8O2/c1-14(2)30-6-4-20(29-30)19-12-31-22(28-21(19)27-17-5-7-33-13-17)18(11-26-31)15-8-16(10-25-9-15)23(32)24-3/h4,6,8-12,14,17H,5,7,13H2,1-3H3,(H,24,32)(H,27,28)/t17-/m0/s1
Definition date:	2022-08-12
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide

QJI

QJI
Name:	~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide
Formula:	C19 H19 Cl N4 O
SMILES:	Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4
InChi:	InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)
Definition date:	2022-11-08
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide

K4C

K4C
Name:	ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Formula:	C16 H17 N5 O2
SMILES:	CCCc1nc2ncnn2c(c3ccncc3)c1C(=O)OCC
InChi:	InChI=1S/C16H17N5O2/c1-3-5-12-13(15(22)23-4-2)14(11-6-8-17-9-7-11)21-16(20-12)18-10-19-21/h6-10H,3-5H2,1-2H3
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

K4O

K4O
Name:	~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:	C13 H12 F N5
SMILES:	Cc1cc(NCc2ccccc2F)n3ncnc3n1
InChi:	InChI=1S/C13H12FN5/c1-9-6-12(19-13(18-9)16-8-17-19)15-7-10-4-2-3-5-11(10)14/h2-6,8,15H,7H2,1H3
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

KCB

KCB
Name:	(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:	C20 H21 Cl N4 O3
SMILES:	COc1ccc([CH]2C[CH](Nc3ncnn23)c4ccc(Cl)cc4)c(OC)c1OC
InChi:	InChI=1S/C20H21ClN4O3/c1-26-17-9-8-14(18(27-2)19(17)28-3)16-10-15(12-4-6-13(21)7-5-12)24-20-22-11-23-25(16)20/h4-9,11,15-16H,10H2,1-3H3,(H,22,23,24)/t15-,16+/m0/s1
Definition date:	2022-05-23
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

9A2

9A2
Name:	(6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:	C28 H35 F3 N4 O3
SMILES:	CC[CH](C)[CH]1N2[CH](CN([CH](C)c3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F
InChi:	InChI=1S/C28H35F3N4O3/c1-4-18(2)25-26(37)34(19(3)21-12-7-10-20-9-5-6-11-22(20)21)17-23-33(16-13-24(36)35(23)25)27(38)32-15-8-14-28(29,30)31/h5-7,9-12,18-19,23,25H,4,8,13-17H2,1-3H3,(H,32,38)/t18-,19+,23-,25+/m1/s1
Definition date:	2022-01-13
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(6~{S},9~{a}~{S})-6-[(2~{R})-butan-2-yl]-8-[(1~{S})-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide

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數據於2024-06-26公開中

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