8O0

Hapalindole A

Created:	2017-08-21
Last modified:	2018-07-18

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1 entries where 8O0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	5
Bond Count	50
Aromatic Bond Count	10

2D diagram of 8O0

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Chemical Component Summary
Name	Hapalindole A
Formula	C₂₁ H₂₃ Cl N₂
Molecular Weight	338.874
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1(C)[CH]2C[CH](Cl)[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
SMILES	OpenEye OEToolkits	2.0.6	CC1(c2cccc3c2c(c[nH]3)C4C1CC(C(C4[N+]#[C-])(C)C=C)Cl)C
Canonical SMILES	CACTVS	3.385	CC1(C)[C@H]2C[C@@H](Cl)[C@](C)(C=C)[C@H]([N+]#[C-])[C@H]2c3c[nH]c4cccc1c34
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C
InChI	InChI	1.03	InChI=1S/C21H23ClN2/c1-6-21(4)16(22)10-14-18(19(21)23-5)12-11-24-15-9-7-8-13(17(12)15)20(14,2)3/h6-9,11,14,16,18-19,24H,1,10H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1
InChIKey	InChI	1.03	UGBGKUYYYCTXAK-DJNKVENRSA-N

Related Resource References

Resource Name	Reference
PubChem	185159
ChEMBL	CHEMBL2071359

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