CID 165083657

C29H169FN4O3S — CID 165083657

About CID 165083657

CID 165083657 (PubChem CID 165083657) has the molecular formula C29H169FN4O3S and a molecular weight of 958.90 g/mol.

Molecular Properties

• Compound Name: CID 165083657
• PubChem CID: 165083657
• Molecular Formula: C29H169FN4O3S
• Molecular Weight: 958.90 g/mol
• Exact Mass: 958.46
• IUPAC Name: —
• SMILES: [3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[C-]#[N+]C1=C[C@@]2(C)c3nc(-c4ccc(CCS(C)(=O)=O)nc4)nc(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O
• InChI: InChI=1S/C29H27FN4O3S.71H2/c1-17-22-12-11-21-25(20-7-5-6-8-23(20)30)33-28(18-9-10-19(32-16-18)13-14-38(4,36)37)34-27(21)29(22,2)15-24(31-3)26(17)35;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-10,15-17,22H,11-14H2,1-2,4H3;71*1H/t17-,22-,29-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1......................................................................./s1/i;71*1+2T
• InChIKey: VNQBLMXRYPMJID-DWUZPFFTSA-N
• XLogP: 22.24
• TPSA: 94.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.90
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of CID 165083657?

The IUPAC name of CID 165083657 (CID 165083657) is not available.

What is the SMILES notation for CID 165083657?

The canonical SMILES for CID 165083657 is [3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[C-]#[N+]C1=C[C@@]2(C)c3nc(-c4ccc(CCS(C)(=O)=O)nc4)nc(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.

What is the InChIKey of CID 165083657?

The InChIKey is VNQBLMXRYPMJID-DWUZPFFTSA-N. The full InChI is InChI=1S/C29H27FN4O3S.71H2/c1-17-22-12-11-21-25(20-7-5-6-8-23(20)30)33-28(18-9-10-19(32-16-18)13-14-38(4,36)37)34-27(21)29(22,2)15-24(31-3)26(17)35;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-10,15-17,22H,11-14H2,1-2,4H3;71*1H/t17-,22-,29-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1......................................................................./s1/i;71*1+2T.

What are the key properties of CID 165083657?

CID 165083657 has a molecular weight of 958.90 g/mol, XLogP of 22.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 165083657 is sourced from PubChem (CID 165083657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).