General Information of the Compound
| Compound ID |
CP0506323
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| Compound Name |
3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]propanamide
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| Structure |
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| Formula |
C30H41N5O4
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| Molecular Weight |
535.689
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| Canonical SMILES |
N[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C30H41N5O4/c31-24(15-21-1-7-27(36)8-2-21)18-34-26(17-23-5-11-29(38)12-6-23)20-35-25(19-33-14-13-30(32)39)16-22-3-9-28(37)10-4-22/h1-12,24-26,33-38H,13-20,31H2,(H2,32,39)/t24-,25-,26-/m0/s1
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| InChIKey |
ORQHCKNXGKDRRO-GSDHBNRESA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound