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PDB Info pages Status search Chemie search: 43993 results BIRD

L6F

L6F
Name:	(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:	C15 H16 N2
SMILES:	Nc1cccc2c1CCNC2c1ccccc1
InChi:	InChI=1S/C15H16N2/c16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-8,15,17H,9-10,16H2/t15-/m1/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine

L6O

L6O
Name:	(5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
Formula:	C10 H11 F N2 S
SMILES:	CC1CN=C(Nc2ccc(F)cc2)S1
InChi:	InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

L6U

L6U
Name:	(2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide
Formula:	C28 H34 N4 O5 S
SMILES:	O=C(NC(c1cccs1)C(=O)NC(CCc1ccccc1)C(=O)NC)CNCc1ccc(OC)cc1OC
InChi:	InChI=1S/C28H34N4O5S/c1-29-27(34)22(14-11-19-8-5-4-6-9-19)31-28(35)26(24-10-7-15-38-24)32-25(33)18-30-17-20-12-13-21(36-2)16-23(20)37-3/h4-10,12-13,15-16,22,26,30H,11,14,17-18H2,1-3H3,(H,29,34)(H,31,35)(H,32,33)/t22-,26+/m0/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide

L73

L73
Name:	N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide
Formula:	C30 H44 N4 O4
SMILES:	COc1cc(CC(NC(=O)C(Cc2ccc(cc2)C(C)(C)C)NC(=O)CNCCCC)C(=O)NC)ccc1
InChi:	InChI=1S/C30H44N4O4/c1-7-8-16-32-20-27(35)33-26(18-21-12-14-23(15-13-21)30(2,3)4)29(37)34-25(28(36)31-5)19-22-10-9-11-24(17-22)38-6/h9-15,17,25-26,32H,7-8,16,18-20H2,1-6H3,(H,31,36)(H,33,35)(H,34,37)/t25-,26+/m0/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide

JYO

JYO
Name:	(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
Formula:	C22 H20 F3 N3 O2
SMILES:	NCC[CH]1CN=C(O)c2cc(c3cccc(OC(F)(F)F)c3)c(n12)c4ccccc4
InChi:	InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)/t16-/m0/s1
Definition date:	2022-05-16
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol

L8K

L8K
Name:	3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
Formula:	C19 H24 N2 O S2
SMILES:	CC(C)(C)C(=O)CSc1nc2c(CCc3csc(CCC)c23)cn1
InChi:	InChI=1S/C19H24N2OS2/c1-5-6-14-16-13(10-23-14)8-7-12-9-20-18(21-17(12)16)24-11-15(22)19(2,3)4/h9-10H,5-8,11H2,1-4H3
Definition date:	2022-03-01
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one

L8R

L8R
Name:	3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one
Formula:	C19 H24 N2 O S2
SMILES:	CC(C)(C)C(=O)CSc1ncc2CCc3scc(CCC)c3c2n1
InChi:	InChI=1S/C19H24N2OS2/c1-5-6-13-10-23-14-8-7-12-9-20-18(21-17(12)16(13)14)24-11-15(22)19(2,3)4/h9-10H,5-8,11H2,1-4H3
Definition date:	2022-03-01
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one

L9E

L9E
Name:	N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide
Formula:	C21 H25 F N4 O2
SMILES:	CN(CCCN)C(=O)c1cccc(N[CH]2CCN(C2=O)c3ccccc3F)c1
InChi:	InChI=1S/C21H25FN4O2/c1-25(12-5-11-23)20(27)15-6-4-7-16(14-15)24-18-10-13-26(21(18)28)19-9-3-2-8-17(19)22/h2-4,6-9,14,18,24H,5,10-13,23H2,1H3/t18-/m0/s1
Synonyms:	(S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide
Definition date:	2022-06-27
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	~{N}-(3-azanylpropyl)-3-[[(3~{S})-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-~{N}-methyl-benzamide

82Q

82Q
Name:	(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide
Formula:	C23 H22 N2 O2
SMILES:	CC(=O)N1C[CH](C[CH]1C(=O)Nc2cccc3ccccc23)c4ccccc4
InChi:	InChI=1S/C23H22N2O2/c1-16(26)25-15-19(17-8-3-2-4-9-17)14-22(25)23(27)24-21-13-7-11-18-10-5-6-12-20(18)21/h2-13,19,22H,14-15H2,1H3,(H,24,27)/t19-,22+/m0/s1
Definition date:	2021-09-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide

85Q

85Q
Name:	(2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide
Formula:	C19 H18 Cl2 N2 O2
SMILES:	ClCC(=O)N1C[CH](C[CH]1C(=O)Nc2cccc(Cl)c2)c3ccccc3
InChi:	InChI=1S/C19H18Cl2N2O2/c20-11-18(24)23-12-14(13-5-2-1-3-6-13)9-17(23)19(25)22-16-8-4-7-15(21)10-16/h1-8,10,14,17H,9,11-12H2,(H,22,25)/t14-,17+/m0/s1
Definition date:	2021-10-04
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(2~{R},4~{R})-1-(2-chloranylethanoyl)-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide

K6L

K6L
Name:	[(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
Formula:	C20 H34 N O6 P
SMILES:	CCCCCCc1ccccc1CCCCC(=O)N[CH](CO)CO[P](O)(O)=O
InChi:	InChI=1S/C20H34NO6P/c1-2-3-4-5-10-17-11-6-7-12-18(17)13-8-9-14-20(23)21-19(15-22)16-27-28(24,25)26/h6-7,11-12,19,22H,2-5,8-10,13-16H2,1H3,(H,21,23)(H2,24,25,26)/t19-/m1/s1
Definition date:	2022-09-11
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	[(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate

86G

86G
Name:	2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
Formula:	C19 H19 N3 O2
SMILES:	COCc1cccc(c1)CC(=O)Nc1ccc(cc1)c1c[NH]nc1
InChi:	InChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23)
Definition date:	2021-09-08
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

86K

86K
Name:	2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
Formula:	C21 H22 N4 O
SMILES:	O=C(CN(C)c1ccccc1)N1CC=C(CC1)c1c[NH]c2ncccc12
InChi:	InChI=1S/C21H22N4O/c1-24(17-6-3-2-4-7-17)15-20(26)25-12-9-16(10-13-25)19-14-23-21-18(19)8-5-11-22-21/h2-9,11,14H,10,12-13,15H2,1H3,(H,22,23)
Definition date:	2021-09-08
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one

86Z

86Z
Name:	pyridin-2-ylboronic acid
Formula:	C5 H6 B N O2
SMILES:	OB(O)c1ccccn1
InChi:	InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H
Synonyms:	2-Pyridineboronic acid
Definition date:	2021-10-04
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	pyridin-2-ylboronic acid

87A

87A
Name:	N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide
Formula:	C49 H58 F N9 O7 S
SMILES:	FC1(CC1)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1OCCOc1ccc(CN2CCN(CC2)c2cc(nnc2N)c2ccccc2O)cc1)c1scnc1C)C(C)(C)C
InChi:	InChI=1S/C49H58FN9O7S/c1-30-42(67-29-53-30)32-11-12-33(26-52-45(62)39-24-34(60)28-59(39)46(63)43(48(2,3)4)54-47(64)49(50)15-16-49)41(23-32)66-22-21-65-35-13-9-31(10-14-35)27-57-17-19-58(20-18-57)38-25-37(55-56-44(38)51)36-7-5-6-8-40(36)61/h5-14,23,25,29,34,39,43,60-61H,15-22,24,26-28H2,1-4H3,(H2,51,56)(H,52,62)(H,54,64)/t34-,39+,43-/m1/s1
Synonyms:	ACBi1
Definition date:	2021-09-09
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide

LU9

LU9
Name:	[(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate
Formula:	C93 H164 N2 O39 P2
SMILES:	CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH](CO[CH]2O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH](O[P]([O-])([O-])=O)[CH](OC(=O)CCOC(=O)CCCCCCCC)[CH]2NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[CH](O[P]([O-])([O-])=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCC
InChi:	InChI=1S/C93H168N2O39P2/c1-6-11-16-21-26-30-34-38-43-48-64(99)55-77(108)129-86-78(94-72(103)54-63(98)47-42-37-33-29-24-19-14-9-4)89(134-136(119,120)121)126-70(82(86)111)61-123-88-79(95-73(104)56-65(49-44-39-35-31-27-22-17-12-7-2)125-75(106)51-46-41-36-32-28-23-18-13-8-3)87(128-76(107)52-53-122-74(105)50-45-40-25-20-15-10-5)85(133-135(116,117)118)71(127-88)62-124-92(90(112)113)58-69(81(110)84(131-92)68(102)60-97)130-93(91(114)115)57-66(100)80(109)83(132-93)67(101)59-96/h63-71,78-89,96-102,109-111H,6-62H2,1-5H3,(H,94,103)(H,95,104)(H,112,113)(H,114,115)(H2,116,117,118)(H2,119,120,121)/p-4/t63-,64+,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,92-,93-/m1/s1
Synonyms:	LIPOPOLYSACCHARIDE
Definition date:	2022-07-12
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-4-[(3~{S})-3-oxidanyltetradecanoyl]oxy-5-[[(3~{R})-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate

9VI

9VI
Name:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide
Formula:	C34 H27 Cl F5 N9 O4 S
SMILES:	CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2cccnc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2C=CCCc21)C(F)(F)F
InChi:	InChI=1S/C34H27ClF5N9O4S/c1-47-28-25(10-9-22(35)27(28)31(45-47)46-54(2,52)53)49-32(43-30-21(33(49)51)7-5-11-41-30)23(14-17-12-18(36)15-19(37)13-17)42-26(50)16-48-24-8-4-3-6-20(24)29(44-48)34(38,39)40/h3,5-7,9-13,15,23H,4,8,14,16H2,1-2H3,(H,42,50)(H,45,46)/t23-/m0/s1
Definition date:	2021-10-29
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide

MF6

MF6
Name:	(1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione
Formula:	C15 H21 N5 O13 P2
SMILES:	Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC1C2O)C(O)C3O
InChi:	InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11-9(22)6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)10(23)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
Synonyms:	1'-2' gcADPR
Definition date:	2022-03-16
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione

7IV

7IV
Name:	~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide
Formula:	C15 H14 Cl N O2
SMILES:	Clc1ccc(NC(=O)COCc2ccccc2)cc1
InChi:	InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
Definition date:	2021-10-07
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide

7IY

7IY
Name:	~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
Formula:	C9 H11 Cl N2 O2
SMILES:	COCC(=O)Nc1ccc(Cl)c(N)c1
InChi:	InChI=1S/C9H11ClN2O2/c1-14-5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3,(H,12,13)
Definition date:	2021-10-07
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide

MW9

MW9
Name:	(21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate
Formula:	C42 H81 O10 P
SMILES:	O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCC/C=CCCCCCCCC
InChi:	InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18-/t39-,40+/m0/s1
Synonyms:	1-stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)
Definition date:	2021-10-08
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate

NUN

NUN
Name:	1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
Formula:	C18 H18 N2 O S
SMILES:	CC(C)(C)C(=O)CSc1nc2c3ccccc3ccc2cn1
InChi:	InChI=1S/C18H18N2OS/c1-18(2,3)15(21)11-22-17-19-10-13-9-8-12-6-4-5-7-14(12)16(13)20-17/h4-10H,11H2,1-3H3
Definition date:	2022-04-08
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one

NUU

NUU
Name:	1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
Formula:	C17 H19 N3 O S
SMILES:	CC(C)(C)C(=O)CSc1nc2c(CCc3ncccc32)cn1
InChi:	InChI=1S/C17H19N3OS/c1-17(2,3)14(21)10-22-16-19-9-11-6-7-13-12(15(11)20-16)5-4-8-18-13/h4-5,8-9H,6-7,10H2,1-3H3
Definition date:	2022-04-08
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one

NV3

NV3
Name:	1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
Formula:	C18 H17 Cl N2 O S
SMILES:	CC(C)(C)C(=O)CSc1nc2c3cc(Cl)ccc3ccc2cn1
InChi:	InChI=1S/C18H17ClN2OS/c1-18(2,3)15(22)10-23-17-20-9-12-5-4-11-6-7-13(19)8-14(11)16(12)21-17/h4-9H,10H2,1-3H3
Definition date:	2022-04-11
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one

NVF

NVF
Name:	1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
Formula:	C16 H18 N2 O S2
SMILES:	CC(C)(C)C(=O)CSc1ncc2CCc3sccc3c2n1
InChi:	InChI=1S/C16H18N2OS2/c1-16(2,3)13(19)9-21-15-17-8-10-4-5-12-11(6-7-20-12)14(10)18-15/h6-8H,4-5,9H2,1-3H3
Definition date:	2022-04-11
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one

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