CID 51704588

C30H27N3O3 — CID 51704588

IUPAC—
SMILESCCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C30H27N3O3/c1-2-18-12-8-14-21-25(18)32-28(36)30(21)29(20-13-6-7-15-22(20)31-27(29)35)24(23-16-9-17-33(23)30)26(34)19-10-4-3-5-11-19/h3-8,10-15,23-24H,2,9,16-17H2,1H3,(H,31,35)(H,32,36)/t23-,24+,29-,30+/m1/s1
InChIKeyMERVUSSRRGAVCO-SMVSGJMUSA-N
MW477.56 g/mol
LogP4.26
Rot. Bonds3

About CID 51704588

CID 51704588 (PubChem CID 51704588) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol.

Molecular Properties

Compound NameCID 51704588
PubChem CID51704588
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name—
SMILESCCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C30H27N3O3/c1-2-18-12-8-14-21-25(18)32-28(36)30(21)29(20-13-6-7-15-22(20)31-27(29)35)24(23-16-9-17-33(23)30)26(34)19-10-4-3-5-11-19/h3-8,10-15,23-24H,2,9,16-17H2,1H3,(H,31,35)(H,32,36)/t23-,24+,29-,30+/m1/s1
InChIKeyMERVUSSRRGAVCO-SMVSGJMUSA-N
XLogP4.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze CID 51704588 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 51704588?
The IUPAC name of CID 51704588 (CID 51704588) is not available.
What is the SMILES notation for CID 51704588?
The canonical SMILES for CID 51704588 is CCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of CID 51704588?
The InChIKey is MERVUSSRRGAVCO-SMVSGJMUSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-2-18-12-8-14-21-25(18)32-28(36)30(21)29(20-13-6-7-15-22(20)31-27(29)35)24(23-16-9-17-33(23)30)26(34)19-10-4-3-5-11-19/h3-8,10-15,23-24H,2,9,16-17H2,1H3,(H,31,35)(H,32,36)/t23-,24+,29-,30+/m1/s1.
What are the key properties of CID 51704588?
CID 51704588 has a molecular weight of 477.56 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 51704588 is sourced from PubChem (CID 51704588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).