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XL4

XL4
Name:	(2R)-2-(1H-indol-3-yl)propan-1-amine
Formula:	C11 H14 N2
SMILES:	CC(CN)c1cnc2ccccc12
InChi:	InChI=1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m0/s1
Definition date:	2020-12-18
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(2R)-2-(1H-indol-3-yl)propan-1-amine

XLJ

XLJ
Name:	(2S)-2-(1H-indol-3-yl)propan-1-amine
Formula:	C11 H14 N2
SMILES:	CC(c1cnc2ccccc12)CN
InChi:	InChI=1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1
Definition date:	2020-12-18
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(2S)-2-(1H-indol-3-yl)propan-1-amine

L82

L82
Name:	(2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid
Formula:	C25 H26 N6 O2 S
SMILES:	OC(=O)[CH](CCCN1C(=S)NN=C1c2ccccc2)N(Cc3ccccn3)Cc4ccccn4
InChi:	InChI=1S/C25H26N6O2S/c32-24(33)22(13-8-16-31-23(28-29-25(31)34)19-9-2-1-3-10-19)30(17-20-11-4-6-14-26-20)18-21-12-5-7-15-27-21/h1-7,9-12,14-15,22H,8,13,16-18H2,(H,29,34)(H,32,33)/t22-/m0/s1
Definition date:	2022-06-20
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid

8PD

8PD
Name:	(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid
Formula:	C20 H39 N O4
SMILES:	CCCCCCCCCCCCCCCC(=O)N[CH](CCO)C(O)=O
InChi:	InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1
Definition date:	2021-12-23
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid

AKQ

AKQ
Name:	(2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
Formula:	C17 H18 Cl N5 O2
SMILES:	C[CH]1C[CH](Nc2ncc(Cl)cn2)c3cc(ccc3N1C(C)=O)C(N)=O
InChi:	InChI=1S/C17H18ClN5O2/c1-9-5-14(22-17-20-7-12(18)8-21-17)13-6-11(16(19)25)3-4-15(13)23(9)10(2)24/h3-4,6-9,14H,5H2,1-2H3,(H2,19,25)(H,20,21,22)/t9-,14+/m0/s1
Synonyms:	(2S,4R)-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
Definition date:	2021-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(2~{S},4~{R})-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinoline-6-carboxamide

KLC

KLC
Name:	(3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one
Formula:	C24 H44 O8
SMILES:	CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[CH](O)CCC[CH](OC)[CH](O)C(=O)O1)OC
InChi:	InChI=1S/C24H44O8/c1-7-16(14-25)11-15(2)19-12-17(30-5)13-21(27)24(3,4)20(26)10-8-9-18(31-6)22(28)23(29)32-19/h11,16-22,25-28H,7-10,12-14H2,1-6H3/b15-11-/t16-,17-,18-,19+,20+,21+,22+/m1/s1
Definition date:	2022-05-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one

KYF

KYF
Name:	(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate
Formula:	C20 H24 F N3 O2 S
SMILES:	O=C(OC1CN2CCC1CC2)NC(C)(C)c1csc(n1)c1ccc(F)cc1
InChi:	InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1
Definition date:	2022-02-22
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate

QFX

QFX
Name:	(4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine
Formula:	C17 H11 Cl N4 O
SMILES:	Clc1nnc2ccc(nn12)Oc1ccccc1c1ccccc1
InChi:	InChI=1S/C17H11ClN4O/c18-17-20-19-15-10-11-16(21-22(15)17)23-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H
Definition date:	2022-06-09
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine

OQ4

OQ4
Name:	2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide
Formula:	C32 H47 F N6 O4 S
SMILES:	CC(C)N(CC)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC2)CC2CCC(NS(=O)(=O)CC)CC2)C1
InChi:	InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-
Definition date:	2022-03-31
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide

RC6

RC6
Name:	1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone
Formula:	C10 H10 Cl N O
SMILES:	CC(=O)N1CCc2c(Cl)cccc12
InChi:	InChI=1S/C10H10ClNO/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3
Definition date:	2022-11-28
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone

RCU

RCU
Name:	ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate
Formula:	C15 H15 Cl F3 N O3
SMILES:	CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F
InChi:	InChI=1S/C15H15ClF3NO3/c1-2-23-13(22)6-5-12(21)20-8-7-9-11(20)4-3-10(16)14(9)15(17,18)19/h3-4H,2,5-8H2,1H3
Definition date:	2022-11-29
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate

RD9

RD9
Name:	methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
Formula:	C14 H14 F3 N O3
SMILES:	COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F
InChi:	InChI=1S/C14H14F3NO3/c1-21-13(20)6-5-12(19)18-8-7-9-10(14(15,16)17)3-2-4-11(9)18/h2-4H,5-8H2,1H3
Definition date:	2022-11-29
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate

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

REH

REH
Name:	1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone
Formula:	C13 H14 F N O
SMILES:	CC(=O)N1CC2(CCC2)c3c(F)cccc13
InChi:	InChI=1S/C13H14FNO/c1-9(16)15-8-13(6-3-7-13)12-10(14)4-2-5-11(12)15/h2,4-5H,3,6-8H2,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone

RFO

RFO
Name:	1-(4-chloranylindol-1-yl)-2-methoxy-ethanone
Formula:	C11 H10 Cl N O2
SMILES:	COCC(=O)n1ccc2c(Cl)cccc12
InChi:	InChI=1S/C11H10ClNO2/c1-15-7-11(14)13-6-5-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-(4-chloranylindol-1-yl)-2-methoxy-ethanone

RG0

RG0
Name:	1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
Formula:	C11 H9 Cl F3 N O
SMILES:	CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F
InChi:	InChI=1S/C11H9ClF3NO/c1-6(17)16-5-4-7-9(16)3-2-8(12)10(7)11(13,14)15/h2-3H,4-5H2,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

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

N36

N36
Name:	3-ethoxy-4-hydroxybenzaldehyde
Formula:	C9 H10 O3
SMILES:	CCOc1cc(ccc1O)C=O
InChi:	InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
Synonyms:	Ethyl vanillin
Definition date:	2022-03-23
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	3-ethoxy-4-hydroxybenzaldehyde

RIQ

RIQ
Name:	1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone
Formula:	C10 H9 Cl2 N O
SMILES:	CC(=O)N1CCc2c(Cl)c(Cl)ccc12
InChi:	InChI=1S/C10H9Cl2NO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone

RIX

RIX
Name:	methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate
Formula:	C11 H8 Cl N O3
SMILES:	COC(=O)C(=O)n1ccc2c(Cl)cccc12
InChi:	InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)13-6-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate

RJ0

RJ0
Name:	1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
Formula:	C11 H11 N O
SMILES:	C=CC(=O)N1CCc2ccccc12
InChi:	InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
Definition date:	2022-11-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-(2,3-dihydroindol-1-yl)prop-2-en-1-one

RL6

RL6
Name:	1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone
Formula:	C11 H9 Cl2 N O
SMILES:	CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12
InChi:	InChI=1S/C11H9Cl2NO/c1-6-3-4-9-10(11(6)13)8(12)5-14(9)7(2)15/h3-5H,1-2H3
Definition date:	2022-12-01
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone

OC0

OC0
Name:	[(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:	C9 H13 B N7 O6 S2
SMILES:	O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)[B-](O)(O)O
InChi:	InChI=1S/C9H13BN7O6S2/c11-8-14-15-9(25-8)24-3-6(18)12-5(10(21,22)23)2-17-1-4(7(19)20)13-16-17/h1,5,21-23H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/q-1/t5-/m0/s1
Definition date:	2022-04-27
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	[(1R)-1-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-(4-carboxy-1H-1,2,3-triazol-1-yl)ethyl](trihydroxido)borate(1-)

AUS

AUS
Name:	(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
Formula:	C14 H18 N2 O2
SMILES:	O=C(Nc1noc2CCCCc12)[CH]3CC34CCC4
InChi:	InChI=1S/C14H18N2O2/c17-13(10-8-14(10)6-3-7-14)15-12-9-4-1-2-5-11(9)18-16-12/h10H,1-8H2,(H,15,16,17)/t10-/m0/s1
Definition date:	2021-12-06
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide

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