General Information of the Compound
Compound ID
CP0083561
Compound Name
BDBM50379529
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Structure
Formula
C31H38N8O3
Molecular Weight
570.698
Canonical SMILES
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
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InChI
InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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InChIKey
IWMCPJZTADUIFX-UHFFFAOYSA-N
Physicochemical Property
logP
3.4387
Rotatable Bonds
5
Heavy Atom Count
42
Polar Areas
97.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
42

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46843906
SID: 99230689
ChEMBL ID
CHEMBL2012582