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Summary Geometry Related PDB entries

1M5

Summary

Name:	(4R)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one
Formula:	C20 H20 Cl N3 O2
Formal charge:	0
Formula weight:	369.845 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one
OpenEye OEToolkits	1.7.6	(4R)-2'-azanyl-6-(3-chlorophenyl)-2,2,3'-trimethyl-spiro[3H-chromene-4,5'-imidazole]-4'-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc(c1)c4ccc3OC(CC2(N=C(N(C2=O)C)N)c3c4)(C)C
InChI	InChI	1.03	InChI=1S/C20H20ClN3O2/c1-19(2)11-20(17(25)24(3)18(22)23-20)15-10-13(7-8-16(15)26-19)12-5-4-6-14(21)9-12/h4-10H,11H2,1-3H3,(H2,22,23)/t20-/m1/s1
InChIKey	InChI	1.03	MPQDZTDGJUCWQL-HXUWFJFHSA-N
SMILES_CANONICAL	CACTVS	3.370	CN1C(=N[C@@]2(CC(C)(C)Oc3ccc(cc23)c4cccc(Cl)c4)C1=O)N
SMILES	CACTVS	3.370	CN1C(=N[C]2(CC(C)(C)Oc3ccc(cc23)c4cccc(Cl)c4)C1=O)N
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C
SMILES	OpenEye OEToolkits	1.7.6	CC1(CC2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C

224931

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