General Information of the Compound
| Compound ID |
CP0553369
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| Compound Name |
1-[4-hydroxy-4-[[4-hydroxy-7-(2-pyrrolidin-1-ylethylamino)-4H-quinazolin-3-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
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| Formula |
C29H39N5O3
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| Molecular Weight |
505.663
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| Canonical SMILES |
OC1N(CC2(O)CCN(CC2)C(=O)CCc2ccccc2)C=Nc2cc(NCCN3CCCC3)ccc12
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| InChI |
InChI=1S/C29H39N5O3/c35-27(11-8-23-6-2-1-3-7-23)33-17-12-29(37,13-18-33)21-34-22-31-26-20-24(9-10-25(26)28(34)36)30-14-19-32-15-4-5-16-32/h1-3,6-7,9-10,20,22,28,30,36-37H,4-5,8,11-19,21H2
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| InChIKey |
ACTVSSBKQMEALS-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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